UCSF

ZINC70200218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 0.38 6.06 -51.26 1 6 -1 87 250.278 7
Mid Mid (pH 6-8) 0.38 6.43 -59.2 2 6 0 88 251.286 7
Lo Low (pH 4.5-6) 0.38 4.46 -37.24 3 6 1 85 252.294 7

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

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