UCSF

ZINC38138773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 30 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) 2.36 11.95 -64.92 2 6 0 88 409.53 10
Hi High (pH 8-9.5) 2.36 11.58 -54.84 1 6 -1 87 408.522 10
Lo Low (pH 4.5-6) 2.36 12.22 -70.68 3 6 1 90 410.538 10

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

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