UCSF

ZINC36753821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.68 2.58 -45.33 4 4 1 60 331.209 3
Lo Low (pH 4.5-6) 1.68 4.78 -112.27 5 4 2 61 332.217 3

Activity (Go SEA)

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