UCSF

ZINC41284734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) 2.30 8.59 -64.61 1 6 -1 87 308.317 4
Mid Mid (pH 6-8) 2.30 9.03 -73.52 2 6 0 88 309.325 4

Activity (Go SEA)

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