UCSF

ZINC34616496

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.43 7.13 -13.82 1 4 0 54 260.3 1
Hi High (pH 8-9.5) 3.43 6.7 -54.15 0 4 -1 53 259.292 1
Lo Low (pH 4.5-6) 3.43 7.68 -33.09 2 4 1 56 261.308 1

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