UCSF

ZINC31932973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.18 10.62 -45.83 1 3 1 22 270.331 3
Mid Mid (pH 6-8) 3.18 9.14 -9 0 3 0 21 269.323 3
Lo Low (pH 4.5-6) 3.18 11.04 -94.54 2 3 2 23 271.339 3

Activity (Go SEA)

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