UCSF

ZINC34848011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 2.99 7.35 -12.55 1 7 0 76 460.987 7
Mid Mid (pH 6-8) 2.99 9.64 -48.97 2 7 1 78 461.995 7

Activity (Go SEA)

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