UCSF

ZINC34939764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 0.95 2 -44.43 4 4 1 60 254.398 3
Lo Low (pH 4.5-6) 0.95 4.23 -105.69 5 4 2 61 255.406 3

Activity (Go SEA)

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