UCSF

ZINC45285075

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 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) 5.07 9.36 -9.9 0 3 0 31 348.229 3
Lo Low (pH 4.5-6) 5.07 9.66 -35.94 1 3 1 33 349.237 3

Activity (Go SEA)

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