UCSF

ZINC09147094

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 24 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) 1.27 2.66 -46.32 2 6 1 62 332.376 2
Mid Mid (pH 6-8) 1.27 0.15 -8.3 1 6 0 60 331.368 2

Activity (Go SEA)

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