UCSF

ZINC42249690

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.13 2.37 -6.24 3 6 0 91 246.27 3
Mid Mid (pH 6-8) 1.59 0.7 -37.15 2 6 -1 94 245.262 3

Activity (Go SEA)

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