UCSF

ZINC34682252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.32 10.79 -47.82 3 6 1 70 435.523 6
Lo Low (pH 4.5-6) 3.32 11.15 -105.86 4 6 2 71 436.531 6

Activity (Go SEA)

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