UCSF

ZINC34685791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 19 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) -1.15 0.8 -55.4 2 6 1 59 272.369 5
Hi High (pH 8-9.5) -1.15 -0.61 -10.8 1 6 0 54 271.361 5
Mid Mid (pH 6-8) -1.15 3.06 -98.08 3 6 2 60 273.377 5

Activity (Go SEA)

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