UCSF

ZINC56194508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2010 24 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) 1.84 3.1 -34.08 4 6 1 87 331.392 8
Mid Mid (pH 6-8) 1.84 2.02 -12.77 3 6 0 83 330.384 8

Activity (Go SEA)

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