UCSF

ZINC41202702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 3.42 8.35 -39.9 2 2 1 29 261.414 5
Mid Mid (pH 6-8) 3.42 7.38 -4.56 1 2 0 25 260.406 5

Activity (Go SEA)

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