UCSF

ZINC40404772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 30 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) 2.12 6.56 -56.39 5 10 1 150 449.538 9
Mid Mid (pH 6-8) 2.12 6.09 -18.87 4 10 0 149 448.53 9

Activity (Go SEA)

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