UCSF

ZINC21813334

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.37 9.54 -34.54 3 2 1 30 271.428 7
Hi High (pH 8-9.5) 2.37 8.07 -46.32 3 2 1 31 271.428 7
Mid Mid (pH 6-8) 2.37 9.94 -139.36 4 2 2 32 272.436 7

Activity (Go SEA)

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