UCSF

ZINC20189293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 1.90 3.92 -43.26 3 4 1 49 292.378 3
Hi High (pH 8-9.5) 1.90 4.96 -37.63 3 4 1 46 292.378 3
Mid Mid (pH 6-8) 1.90 2.7 -5.45 2 4 0 44 291.37 3
Lo Low (pH 4.5-6) 1.90 6.18 -113.14 4 4 2 50 293.386 3

Activity (Go SEA)

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