UCSF

ZINC20265815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.70 6.13 -43.95 3 3 1 48 247.362 2
Mid Mid (pH 6-8) 0.70 5.78 -6.74 2 3 0 46 246.354 2

Activity (Go SEA)

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