UCSF

ZINC26532763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 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) 4.55 11.64 -61.68 0 6 -1 79 474.508 9
Lo Low (pH 4.5-6) 4.55 10.81 -15.72 1 6 0 76 475.516 9

Activity (Go SEA)

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