UCSF

ZINC22211712

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 2.11 4.25 -46.67 3 3 1 44 237.367 4
Mid Mid (pH 6-8) 2.11 6.49 -121.48 4 3 2 45 238.375 4
Mid Mid (pH 6-8) 2.11 5.96 -27.4 3 3 1 44 237.367 4

Activity (Go SEA)

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