UCSF

ZINC43993091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.17 7.58 -100.07 3 3 2 36 195.31 2
Mid Mid (pH 6-8) 1.17 6.9 -41.49 2 3 1 34 194.302 2

Activity (Go SEA)

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