UCSF

ZINC26751316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -8.62 -454.23 5 18 -5 322 495.032 8
Mid Mid (pH 6-8) -5.07 -4.76 -997.39 2 18 -8 330 492.008 8
Mid Mid (pH 6-8) -5.07 -5.9 -789.31 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -5.9 -824.46 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -5.9 -782.72 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -6.33 -807.19 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -6.67 -844.57 3 18 -7 327 493.016 8
Lo Low (pH 4.5-6) -5.07 -9.34 -296 6 18 -4 319 496.04 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.