UCSF

ZINC21527816

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 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) 3.53 13.36 -51.03 1 7 1 64 430.532 5
Mid Mid (pH 6-8) 3.53 11.04 -15.9 0 7 0 63 429.524 5

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

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