UCSF

ZINC08170077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.91 7.76 -9.23 1 4 0 45 295.386 3
Mid Mid (pH 6-8) 2.91 8.42 -34.95 2 4 1 46 296.394 3

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