UCSF

ZINC37108165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.30 6.51 -38.27 3 3 1 44 251.394 6
Mid Mid (pH 6-8) 2.30 7.32 -32.19 3 3 1 44 251.394 6

Activity (Go SEA)

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