UCSF

ZINC35155749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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 -9.63 -482.11 5 18 -5 322 495.032 8
Mid Mid (pH 6-8) -5.07 -7.34 -832.8 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -6.2 -1074.95 2 18 -8 330 492.008 8
Mid Mid (pH 6-8) -5.07 -7.34 -871.13 3 18 -7 327 493.016 8
Lo Low (pH 4.5-6) -5.07 -10.78 -310.15 6 18 -4 319 496.04 8

Activity (Go SEA)

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