UCSF

ZINC43441676

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.94 8.21 -45.3 1 5 -1 78 250.322 7
Mid Mid (pH 6-8) 0.94 8.55 -44.96 2 5 0 79 251.33 7

Activity (Go SEA)

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