UCSF

ZINC40772051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 4.41 9.17 -42.67 2 2 1 20 307.889 6
Mid Mid (pH 6-8) 4.41 11.41 -127.73 3 2 2 21 308.897 6
Mid Mid (pH 6-8) 4.41 10.52 -35.28 2 2 1 16 307.889 6

Activity (Go SEA)

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