UCSF

ZINC12403154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 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) 4.76 7.59 -52.96 1 8 -1 121 431.424 8
Mid Mid (pH 6-8) 4.76 6.83 -17.3 2 8 0 118 432.432 8
Lo Low (pH 4.5-6) 4.76 7.14 -53.08 3 8 1 119 433.44 8

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

No pre-computed analogs available. Try a structural similarity search.