UCSF

ZINC34685777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 23 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) 0.62 3.18 -50.71 2 6 1 59 320.413 4
Mid Mid (pH 6-8) 0.62 3.93 -43.25 2 6 1 55 320.413 4
Mid Mid (pH 6-8) 0.62 1.8 -12.29 1 6 0 54 319.405 4
Mid Mid (pH 6-8) 0.62 5.3 -113.84 3 6 2 60 321.421 4

Activity (Go SEA)

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