UCSF

ZINC31959695

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.32 5.27 -97.16 5 6 2 83 336.461 7
Hi High (pH 8-9.5) 1.88 3.96 -45.14 4 6 1 85 335.453 6
Hi High (pH 8-9.5) 1.88 1.5 -10 3 6 0 84 334.445 6
Mid Mid (pH 6-8) 1.14 4.2 -76.97 4 6 1 90 335.453 7

Activity (Go SEA)

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