UCSF

ZINC19432321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.29 4.13 -110.97 5 4 2 59 234.347 4
Mid Mid (pH 6-8) -1.62 4.12 -32.17 5 4 1 59 233.339 4
Mid Mid (pH 6-8) 1.29 1.75 -37.18 4 4 1 58 233.339 4

Activity (Go SEA)

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