UCSF

ZINC34387434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 No

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) 0.28 7.61 -76.79 6 8 1 142 458.922 7
Hi High (pH 8-9.5) 0.28 6.42 -70.71 5 8 0 137 457.914 7
Mid Mid (pH 6-8) 0.28 5.9 -69.95 5 8 0 137 457.914 7

Activity (Go SEA)

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