UCSF

ZINC31632992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 26 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) 2.63 5.48 -16.05 2 7 0 84 354.41 6
Mid Mid (pH 6-8) 2.63 5.69 -43.07 3 7 1 85 355.418 6

Activity (Go SEA)

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