UCSF

ZINC19834086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 2.00 3.87 -47.6 4 5 1 72 292.281 7
Hi High (pH 8-9.5) 2.00 1.47 -8.11 3 5 0 71 291.273 7

Activity (Go SEA)

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