UCSF

ZINC34957922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 1.48 3.91 -42.68 3 5 1 66 344.229 4
Hi High (pH 8-9.5) 1.48 3.5 -10.77 2 5 0 65 343.221 4

Activity (Go SEA)

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