UCSF

ZINC37184043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.84 5.49 -42.39 2 3 1 29 251.394 8
Mid Mid (pH 6-8) 2.84 7.96 -117.44 3 3 2 30 252.402 8

Activity (Go SEA)

Rings

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