UCSF

ZINC36897420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 2.37 7.54 -124.11 3 4 2 40 343.265 5
Mid Mid (pH 6-8) 2.37 6.18 -37.57 2 4 1 35 342.257 5

Activity (Go SEA)

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