UCSF

ZINC31946858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.36 2.9 -56.35 3 7 1 92 337.425 4
Hi High (pH 8-9.5) 0.82 -0.65 -44.42 1 7 -1 90 335.409 4
Mid Mid (pH 6-8) 0.36 1.65 -13.68 2 7 0 87 336.417 4

Activity (Go SEA)

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