UCSF

ZINC45687869

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.52 7.9 -53.54 2 5 1 60 262.333 7
Mid Mid (pH 6-8) 1.52 6.99 -29.08 2 5 1 57 262.333 7
Mid Mid (pH 6-8) 1.52 8.35 -103.11 3 5 2 61 263.341 7
Mid Mid (pH 6-8) 1.52 6.54 -11.46 1 5 0 56 261.325 7

Activity (Go SEA)

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