UCSF

ZINC19933699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 1.11 5.15 -106.28 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.11 5.08 -91.77 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.11 2.78 -44.03 3 3 1 34 248.394 5

Activity (Go SEA)

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