UCSF

ZINC23371388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 3.63 6.58 -65.02 0 4 -1 61 329.376 3
Mid Mid (pH 6-8) 3.63 7.1 -44.62 1 4 0 62 330.384 3
Lo Low (pH 4.5-6) 3.63 5.99 -16.48 1 4 0 59 330.384 3

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

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