UCSF

ZINC23663588

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 35 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) 4.64 10.6 -50.13 3 7 1 83 491.999 8
Hi High (pH 8-9.5) 4.64 10.6 -48.54 3 7 1 83 491.999 8
Hi High (pH 8-9.5) 4.64 8.36 -15.34 2 7 0 82 490.991 8
Lo Low (pH 4.5-6) 4.64 12.87 -132.81 4 7 2 84 493.007 8

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