UCSF

ZINC69841986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 Yes

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) 2.13 7.04 -100.36 3 3 2 36 209.337 3
Hi High (pH 8-9.5) 2.13 5.34 -5.5 1 3 0 30 207.321 3
Hi High (pH 8-9.5) 2.13 6.46 -33.83 2 3 1 34 208.329 3
Mid Mid (pH 6-8) 2.13 5.93 -25.8 2 3 1 31 208.329 3

Activity (Go SEA)

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

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