UCSF

ZINC21802898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.24 7.92 -40.3 2 3 1 33 289.443 8
Hi High (pH 8-9.5) 4.24 7.02 -5.15 1 3 0 28 288.435 8
Mid Mid (pH 6-8) 4.24 10.24 -118.17 3 3 2 34 290.451 8
Mid Mid (pH 6-8) 4.24 8.94 -37.97 2 3 1 30 289.443 8

Activity (Go SEA)

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