UCSF

ZINC41689134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 1.10 5.84 -37.35 2 4 0 66 264.108 5
Hi High (pH 8-9.5) 1.10 4.5 -43.97 1 4 -1 61 263.1 5

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Rings

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