UCSF

ZINC42443080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.84 2.15 -42.26 3 2 1 31 181.25 6
Lo Low (pH 4.5-6) 0.84 3.59 -101.39 4 2 2 32 182.258 6

Activity (Go SEA)

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