UCSF

ZINC37516605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 0.43 6.89 -69.31 1 5 0 65 240.303 3
Lo Low (pH 4.5-6) 0.43 4.95 -47.51 2 5 1 62 241.311 3

Activity (Go SEA)

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