UCSF

ZINC34699681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 23 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) 1.86 10.18 -52.82 2 7 1 69 315.401 6
Hi High (pH 8-9.5) 1.86 7.73 -11.95 1 7 0 68 314.393 6

Activity (Go SEA)

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