UCSF

ZINC19454331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 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) 4.07 8.96 -50.47 1 8 0 91 421.501 7
Mid Mid (pH 6-8) 4.07 8.35 -48.93 0 8 -1 90 420.493 7
Lo Low (pH 4.5-6) 3.61 10.14 -50.31 2 8 1 88 422.509 7

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

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