UCSF

ZINC41051911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 2.60 5.49 -32.65 2 2 1 16 211.373 3
Mid Mid (pH 6-8) 2.60 4.72 -34.31 2 2 1 20 211.373 3
Mid Mid (pH 6-8) 2.60 6.77 -97.55 3 2 2 21 212.381 3

Activity (Go SEA)

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