UCSF

ZINC63191784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 16 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) 0.67 3.53 -47.3 3 3 1 44 220.34 3
Mid Mid (pH 6-8) 0.67 5.32 -112.15 4 3 2 45 221.348 3
Mid Mid (pH 6-8) 0.67 3.58 -92.54 4 3 2 45 221.348 3

Activity (Go SEA)

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