UCSF

ZINC49568506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 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) 0.18 6.16 -109.03 2 3 2 26 196.294 1
Hi High (pH 8-9.5) 0.18 1.66 -4.2 0 3 0 24 194.278 1
Mid Mid (pH 6-8) 0.18 4.22 -36.79 1 3 1 25 195.286 1

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

No pre-computed analogs available. Try a structural similarity search.