UCSF

ZINC69380447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 17 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) 3.57 7.29 -113.52 4 2 2 32 242.451 9
Mid Mid (pH 6-8) 3.57 6.95 -26.21 3 2 1 30 241.443 9

Activity (Go SEA)

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