UCSF

ZINC37821054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.24 6.1 -47.95 3 4 1 72 260.361 6
Mid Mid (pH 6-8) 1.24 5.81 -9.29 2 4 0 70 259.353 6

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Rings

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