UCSF

ZINC22846325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.83 3.05 -44.8 3 4 1 51 248.35 4
Mid Mid (pH 6-8) 0.83 3.06 -47.29 3 4 1 51 248.35 4
Mid Mid (pH 6-8) 0.83 0.67 -10.57 2 4 0 50 247.342 4

Activity (Go SEA)

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