UCSF

ZINC41720100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 1.85 7.58 -36.83 1 3 1 34 227.287 1
Hi High (pH 8-9.5) 1.85 7.15 -8.22 0 3 0 33 226.279 1

Activity (Go SEA)

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