UCSF

ZINC42459725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.90 5.29 -30.04 1 3 1 31 186.275 4
Mid Mid (pH 6-8) 0.90 3.07 -5.4 0 3 0 30 185.267 4

Activity (Go SEA)

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