UCSF

ZINC22935912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 18 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) 3.58 7.74 -44.89 2 2 1 20 288.242 5
Mid Mid (pH 6-8) 3.58 9.53 -125.05 3 2 2 21 289.25 5
Mid Mid (pH 6-8) 3.58 8.27 -32.25 2 2 1 16 288.242 5

Activity (Go SEA)

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