UCSF

ZINC23142274

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 26 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) 2.02 10.54 -20.91 2 8 0 101 347.382 4
Hi High (pH 8-9.5) 2.09 9.56 -44.52 1 8 -1 108 346.374 4
Mid Mid (pH 6-8) 2.02 10.36 -46.1 1 8 -1 100 346.374 4

Activity (Go SEA)

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