UCSF

ZINC34678322

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 3.47 7.75 -46 2 6 1 63 439.967 7
Mid Mid (pH 6-8) 3.47 7.7 -45.61 2 6 1 63 439.967 7
Mid Mid (pH 6-8) 3.47 5.45 -8.25 1 6 0 62 438.959 7

Activity (Go SEA)

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