UCSF

ZINC40489022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 2.09 7.31 -17.18 1 7 0 79 342.399 5
Mid Mid (pH 6-8) 2.09 7.63 -39.68 2 7 1 80 343.407 5

Activity (Go SEA)

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