UCSF

ZINC34948802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.77 11.95 -10.94 1 6 0 54 524.459 9
Mid Mid (pH 6-8) 5.77 14.21 -54.47 2 6 1 55 525.467 9

Activity (Go SEA)

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