UCSF

ZINC19481899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 2.94 9.3 -58.14 3 2 1 30 271.409 5
Hi High (pH 8-9.5) 2.94 6.9 -15.1 2 2 0 29 270.401 5

Activity (Go SEA)

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