UCSF

ZINC35125101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 0.87 5.63 -46.35 2 4 1 50 236.339 6
Hi High (pH 8-9.5) 0.87 4.53 -9.69 1 4 0 45 235.331 6
Lo Low (pH 4.5-6) 0.87 4.99 -36.63 2 4 1 46 236.339 6

Activity (Go SEA)

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