UCSF

ZINC19904022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.16 8.16 -35.36 2 2 1 16 265.396 5
Mid Mid (pH 6-8) 3.16 7.18 -47.72 2 2 1 20 265.396 5
Lo Low (pH 4.5-6) 3.16 9.44 -114.39 3 2 2 21 266.404 5

Activity (Go SEA)

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