UCSF

ZINC35810327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.24 16.31 -38.03 1 4 1 34 471.665 9
Mid Mid (pH 6-8) 6.24 14.12 -10.95 0 4 0 33 470.657 9

Activity (Go SEA)

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