UCSF

ZINC23142298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 23 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) 0.93 8.92 -21.04 2 8 0 101 311.349 4
Hi High (pH 8-9.5) 1.00 7.94 -44.37 1 8 -1 108 310.341 4
Mid Mid (pH 6-8) 0.93 8.73 -46.24 1 8 -1 100 310.341 4

Activity (Go SEA)

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