UCSF

ZINC05882296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 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) 6.06 11.63 -7.54 1 3 0 38 421.393 7
Mid Mid (pH 6-8) 6.06 12.3 -30.78 2 3 1 39 422.401 7

Activity (Go SEA)

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