UCSF

ZINC41685691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.97 5.63 -45.9 3 5 1 72 271.381 8
Mid Mid (pH 6-8) 1.97 4.27 -9.25 2 5 0 67 270.373 8

Activity (Go SEA)

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