UCSF

ZINC37859138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 14 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) 0.54 -1.31 -10.33 2 5 0 79 234.302 4
Mid Mid (pH 6-8) 1.00 -3.58 -40.85 1 5 -1 82 233.294 4

Activity (Go SEA)

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