UCSF

ZINC42825524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.37 1.23 -36.4 4 3 1 49 187.307 5
Mid Mid (pH 6-8) 0.37 2.58 -118.61 5 3 2 53 188.315 5

Activity (Go SEA)

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