UCSF

ZINC53633217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 34 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) 3.36 9.28 -75.28 4 7 2 93 477.996 6
Mid Mid (pH 6-8) 3.36 11.27 -154.2 5 7 3 95 479.004 6
Mid Mid (pH 6-8) 3.36 8.82 -35.25 3 7 1 92 476.988 6

Activity (Go SEA)

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