UCSF

ZINC37835558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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 9.43 -63.36 0 5 -1 84 287.339 6
Lo Low (pH 4.5-6) 1.93 7.47 -18.82 1 5 0 81 288.347 6

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Rings

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