UCSF

ZINC44518371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.33 5.98 -95.26 3 3 2 24 229.412 7
Hi High (pH 8-9.5) 1.33 4.6 -32.87 2 3 1 20 228.404 7
Mid Mid (pH 6-8) 1.33 6.7 -75.75 3 3 2 21 229.412 7
Mid Mid (pH 6-8) 1.33 8.09 -181.94 4 3 3 25 230.42 7

Activity (Go SEA)

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