UCSF

ZINC33953252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 33 No

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) 5.13 7.8 -16.03 3 8 0 112 440.459 6
Ref Reference (pH 7) 6.86 7.11 -19.84 3 8 0 116 440.459 6
Hi High (pH 8-9.5) 6.86 8.1 -67.22 2 8 -1 119 439.451 6

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