UCSF

ZINC34929432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 3.55 10.52 -45.66 4 5 1 67 439.583 6
Hi High (pH 8-9.5) 3.55 10.23 -8.34 3 5 0 65 438.575 6
Lo Low (pH 4.5-6) 3.55 12.35 -109.54 5 5 2 68 440.591 6

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