UCSF

ZINC19788442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 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) 2.35 5.81 -33.5 1 4 1 26 279.404 5
Hi High (pH 8-9.5) 2.35 3.54 -4.77 0 4 0 25 278.396 5
Mid Mid (pH 6-8) 2.35 5.86 -33.86 1 4 1 26 279.404 5

Activity (Go SEA)

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