UCSF

ZINC22932784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.32 7.28 -40.92 1 5 1 35 349.886 6
Mid Mid (pH 6-8) 2.32 7.42 -37.59 1 5 1 35 349.886 6
Mid Mid (pH 6-8) 2.32 5.08 -9.41 0 5 0 34 348.878 6

Activity (Go SEA)

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