UCSF

ZINC19634168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 3.91 11.78 -41.52 1 3 1 21 296.438 5
Hi High (pH 8-9.5) 3.91 9.55 -5.51 0 3 0 19 295.43 5
Mid Mid (pH 6-8) 3.91 9.86 -28.92 1 3 1 21 296.438 5

Activity (Go SEA)

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