UCSF

ZINC33671880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 6.52 15.33 -42.44 0 4 -1 60 452.574 7
Lo Low (pH 4.5-6) 6.52 14.2 -15.77 1 4 0 58 453.582 7

Activity (Go SEA)

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