UCSF

ZINC62951463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.88 5.84 -125.4 4 3 2 45 238.375 4
Mid Mid (pH 6-8) 1.88 5.73 -28.63 3 3 1 44 237.367 4
Mid Mid (pH 6-8) 1.88 3.98 -44.12 3 3 1 44 237.367 4

Activity (Go SEA)

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