UCSF

ZINC41203493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.30 8.6 -35.15 2 3 1 37 297.488 7
Mid Mid (pH 6-8) 3.30 7.38 -10.15 1 3 0 32 296.48 7

Activity (Go SEA)

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