UCSF

ZINC22933600

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) 2.19 9.65 -81.06 2 4 2 21 335.536 8
Hi High (pH 8-9.5) 2.19 7.42 -38.02 1 4 1 20 334.528 8
Mid Mid (pH 6-8) 2.19 9.8 -78.55 2 4 2 21 335.536 8

Activity (Go SEA)

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