UCSF

ZINC34824661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.06 6.45 -37.13 2 4 1 38 223.344 5
Hi High (pH 8-9.5) 1.06 5.18 -24.46 2 4 1 34 223.344 5
Hi High (pH 8-9.5) 1.06 5.04 -4.11 1 4 0 33 222.336 5
Mid Mid (pH 6-8) 1.06 6.59 -90.34 3 4 2 39 224.352 5

Activity (Go SEA)

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