UCSF

ZINC36692131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 5.04 12.28 -21.97 1 5 0 62 432.936 4
Lo Low (pH 4.5-6) 5.04 12.17 -52.43 2 5 1 63 433.944 4

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