UCSF

ZINC40150980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 28 No

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) 0.52 15.98 -104.15 3 5 2 56 443.389 6
Hi High (pH 8-9.5) 0.52 13.76 -34.47 2 5 1 55 442.381 6

Activity (Go SEA)

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