UCSF

ZINC08654888

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2007 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) 2.05 6.98 -10.4 0 2 0 37 194.237 2
Lo Low (pH 4.5-6) 2.05 7.26 -38.95 1 2 1 38 195.245 2

Activity (Go SEA)

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