UCSF

ZINC44685687

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.90 4.54 -47.93 2 4 1 38 261.345 4
Hi High (pH 8-9.5) 1.90 3.33 -5.45 1 4 0 34 260.337 4
Mid Mid (pH 6-8) 1.90 5.66 -37.45 2 4 1 35 261.345 4
Lo Low (pH 4.5-6) 1.90 6.87 -120.29 3 4 2 40 262.353 4

Activity (Go SEA)

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