UCSF

ZINC34667871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 2.90 8.22 -10.78 1 5 0 48 372.419 5
Mid Mid (pH 6-8) 2.90 10.42 -45.85 2 5 1 50 373.427 5
Mid Mid (pH 6-8) 2.90 8.56 -36.43 2 5 1 50 373.427 5
Lo Low (pH 4.5-6) 2.90 10.76 -104.46 3 5 2 51 374.435 5

Activity (Go SEA)

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