UCSF

ZINC43445351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.83 5.07 -37.28 3 3 1 37 263.405 7
Mid Mid (pH 6-8) 1.82 4.02 -41.07 3 3 1 40 263.405 7
Mid Mid (pH 6-8) 1.83 6.25 -109.41 4 3 2 41 264.413 7

Activity (Go SEA)

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