UCSF

ZINC20967347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 2.28 3.37 -4.53 1 4 0 34 278.396 8
Mid Mid (pH 6-8) 2.28 4.78 -45.23 2 4 1 38 279.404 8
Lo Low (pH 4.5-6) 2.28 5.69 -38.06 2 4 1 35 279.404 8

Activity (Go SEA)

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