UCSF

ZINC40748284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.28 7.13 -27.49 2 3 1 29 308.515 5
Mid Mid (pH 6-8) 3.28 8.42 -98.17 3 3 2 34 309.523 5
Mid Mid (pH 6-8) 3.28 8.11 -37.52 2 3 1 33 308.515 5

Activity (Go SEA)

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