UCSF

ZINC55073596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.93 6.32 -111.5 4 5 2 61 293.459 5
Hi High (pH 8-9.5) 1.93 4.12 -2.64 2 5 0 58 291.443 5
Hi High (pH 8-9.5) 1.93 4.5 -43.3 3 5 1 60 292.451 5
Hi High (pH 8-9.5) 1.93 5.94 -39.75 3 5 1 59 292.451 5

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

No pre-computed analogs available. Try a structural similarity search.