UCSF

ZINC37833427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.39 6.49 -77.15 1 6 0 82 300.38 8
Hi High (pH 8-9.5) 0.39 3.99 -53.27 0 6 -1 81 299.372 8

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Rings

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