UCSF

ZINC33851745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 39 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) 6.77 17.52 -12.8 1 4 0 39 513.685 7
Lo Low (pH 4.5-6) 6.77 19.1 -46.92 2 4 1 41 514.693 7

Activity (Go SEA)

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