UCSF

ZINC37065724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.47 8.12 -14.04 1 5 0 68 288.395 1
Hi High (pH 8-9.5) 2.47 7.44 -37.29 0 5 -1 71 287.387 1

Activity (Go SEA)

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