UCSF

ZINC42953069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 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) 1.55 1.85 -58.73 4 4 1 60 315.235 5
Mid Mid (pH 6-8) 1.55 3.91 -124.08 5 4 2 61 316.243 5

Activity (Go SEA)

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