UCSF

ZINC42447610

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.70 3.94 -7.87 4 4 0 72 247.342 3
Mid Mid (pH 6-8) 1.70 3.67 -27.21 5 4 1 74 248.35 3

Activity (Go SEA)

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