UCSF

ZINC36382567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 23 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) 1.89 8.7 -89.7 4 7 2 79 319.409 3
Hi High (pH 8-9.5) 1.89 6.72 -26.92 3 7 1 78 318.401 3
Hi High (pH 8-9.5) 1.89 8.42 -42.51 3 7 1 78 318.401 3

Activity (Go SEA)

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