UCSF

ZINC06494385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 16 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) 1.79 5.23 -27.92 3 4 1 62 236.32 0
Mid Mid (pH 6-8) 1.79 4.08 -19.06 2 4 0 61 235.312 0

Activity (Go SEA)

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