UCSF

ZINC03873175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 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) 0.54 1.75 -44.78 3 5 1 63 288.323 0
Mid Mid (pH 6-8) 0.54 0.28 -8.92 2 5 0 62 287.315 0

Activity (Go SEA)

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