UCSF

ZINC54768175

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 15 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) -1.24 -0.02 -37.88 1 7 -1 91 204.217 4
Mid Mid (pH 6-8) -1.24 1.26 -43.62 2 7 0 95 205.225 4

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

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