UCSF

ZINC12496595

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 35 No

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) -4.51 3.37 -152.34 12 13 2 229 498.629 14
Hi High (pH 8-9.5) -4.51 1.14 -107.58 11 13 1 224 497.621 14
Hi High (pH 8-9.5) -4.43 2.13 -98.87 11 13 1 222 497.621 15

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