UCSF

ZINC31961501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.87 2.54 -58 5 7 1 100 331.396 8
Hi High (pH 8-9.5) 0.87 2.15 -17.83 4 7 0 99 330.388 8
Mid Mid (pH 6-8) 0.87 3 -106.87 6 7 2 101 332.404 8

Activity (Go SEA)

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