UCSF

ZINC37828233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.24 5.02 -55.19 1 7 -1 106 294.312 5
Hi High (pH 8-9.5) 0.22 2.24 -103.14 0 7 -2 109 293.304 5
Lo Low (pH 4.5-6) -0.24 3.04 -18.55 2 7 0 103 295.32 5

Activity (Go SEA)

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