UCSF

ZINC02796146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 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) 3.46 8.6 -24.5 2 5 0 67 346.415 4
Lo Low (pH 4.5-6) 3.46 9.06 -31.43 3 5 1 68 347.423 4

Activity (Go SEA)

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