UCSF

ZINC49707150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 1.41 3.96 -14.66 1 6 0 66 319.405 5
Mid Mid (pH 6-8) 1.41 6.17 -53.72 2 6 1 67 320.413 5

Activity (Go SEA)

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