UCSF

ZINC34681805

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.22 12.86 -46.09 2 6 1 59 431.56 6
Hi High (pH 8-9.5) 4.22 11.05 -13.34 1 6 0 58 430.552 6
Lo Low (pH 4.5-6) 4.22 13.21 -101.96 3 6 2 60 432.568 6

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