UCSF

ZINC22578812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 16 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 7.61 -34.73 1 2 1 8 219.352 3
Hi High (pH 8-9.5) 2.84 5.15 -2.3 0 2 0 6 218.344 3
Mid Mid (pH 6-8) 2.84 7.2 -35.47 1 2 1 8 219.352 3

Activity (Go SEA)

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