UCSF

ZINC42902661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.42 4.62 -43.75 3 2 1 31 273.322 6
Hi High (pH 8-9.5) 2.42 4.39 -3.98 2 2 0 29 272.314 6
Lo Low (pH 4.5-6) 2.42 6.72 -114.45 4 2 2 32 274.33 6

Activity (Go SEA)

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