UCSF

ZINC34980181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.85 9.63 -20.58 0 3 0 35 268.291 3
Mid Mid (pH 6-8) 2.85 10.06 -37.12 1 3 1 36 269.299 3

Activity (Go SEA)

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