UCSF

ZINC74579760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2012 24 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) 2.73 9.16 -37.1 3 4 1 59 320.416 6
Mid Mid (pH 6-8) 2.73 8.72 -14.65 2 4 0 58 319.408 6
Mid Mid (pH 6-8) 2.73 8.75 -14.96 2 4 0 58 319.408 6

Activity (Go SEA)

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