UCSF

ZINC37817058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.00 7.04 -41.82 3 3 1 48 318.268 5
Hi High (pH 8-9.5) 3.00 6.7 -8.78 2 3 0 46 317.26 5

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Rings

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