UCSF

ZINC19727576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 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) 1.12 3.45 -94.4 4 3 2 35 199.342 2
Mid Mid (pH 6-8) 1.12 2.87 -120.55 4 3 2 35 199.342 2
Mid Mid (pH 6-8) 1.12 0.98 -39.77 3 3 1 34 198.334 2

Activity (Go SEA)

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