UCSF

ZINC15511050

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 20 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) 2.90 7.13 -10.39 2 3 0 45 264.328 3
Mid Mid (pH 6-8) 2.97 5.83 -34.26 3 3 1 50 265.336 3

Activity (Go SEA)

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