UCSF

ZINC37180050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.81 7.27 -122.35 4 2 2 32 236.403 6
Mid Mid (pH 6-8) 2.81 5.23 -42.93 3 2 1 31 235.395 6
Mid Mid (pH 6-8) 2.81 6.81 -27.01 3 2 1 30 235.395 6

Activity (Go SEA)

Rings

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