UCSF

ZINC37085355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.98 7.15 -43.35 2 3 1 43 258.288 5
Mid Mid (pH 6-8) 2.98 5.93 -5.26 1 3 0 38 257.28 5

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Rings

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