UCSF

ZINC43970138

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.92 7.31 -33.17 2 3 1 29 289.443 8
Mid Mid (pH 6-8) 2.92 5.35 -3.29 1 3 0 24 288.435 8
Mid Mid (pH 6-8) 2.92 7.69 -29.93 2 3 1 26 289.443 8

Activity (Go SEA)

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