UCSF

ZINC31810676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 32 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) 1.42 7.89 -23.96 1 7 0 73 434.54 7
Mid Mid (pH 6-8) 1.42 10.22 -65.19 2 7 1 74 435.548 7

Activity (Go SEA)

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