UCSF

ZINC37079751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.53 4.96 -53.66 3 4 1 49 291.415 7
Mid Mid (pH 6-8) 2.53 6.12 -33.15 3 4 1 49 291.415 7
Mid Mid (pH 6-8) 2.53 6.61 -131.31 4 4 2 51 292.423 7

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

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