UCSF

ZINC34681777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 5.48 14.89 -41.96 2 5 1 50 523.501 7
Lo Low (pH 4.5-6) 5.48 15.24 -100.96 3 5 2 51 524.509 7

Activity (Go SEA)

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