UCSF

ZINC34672639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 2.51 7.54 -46 2 6 1 72 391.495 7
Lo Low (pH 4.5-6) 2.51 7.95 -90.08 3 6 2 74 392.503 7

Activity (Go SEA)

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