UCSF

ZINC22591801

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 24 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) 1.79 3.64 -37.66 2 6 1 59 330.408 5
Hi High (pH 8-9.5) 1.79 3.35 -10.76 1 6 0 58 329.4 5
Mid Mid (pH 6-8) 1.79 5.73 -47.78 2 6 1 59 330.408 5

Activity (Go SEA)

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