UCSF

ZINC34785710

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 16 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) 3.46 7.85 -7.71 1 3 0 38 215.3 5
Lo Low (pH 4.5-6) 3.46 8.32 -27.49 2 3 1 39 216.308 5

Activity (Go SEA)

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