UCSF

ZINC47913064

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 16 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) 1.44 3.77 -44.95 2 4 -1 79 223.158 1
Mid Mid (pH 6-8) 1.44 4.19 -30.35 3 4 0 80 224.166 1

Activity (Go SEA)

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