UCSF

ZINC37184427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.24 4.36 -10.28 1 3 0 45 244.216 6
Mid Mid (pH 6-8) 2.24 5.72 -51.64 2 3 1 50 245.224 6

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Rings

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