UCSF

ZINC19876753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.78 7.38 -53.54 2 3 1 43 274.262 4
Mid Mid (pH 6-8) 1.78 6.23 -8.1 1 3 0 38 273.254 4

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