UCSF

ZINC24518530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 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) 3.42 8.23 -8.91 2 3 0 41 348.368 7
Mid Mid (pH 6-8) 3.42 9.25 -45.34 3 3 1 46 349.376 7

Activity (Go SEA)

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