UCSF

ZINC36096407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.44 4.47 -36.18 2 5 1 56 286.392 11
Hi High (pH 8-9.5) 1.44 2.27 -6.13 1 5 0 55 285.384 11

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Rings

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