UCSF

ZINC69797504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 1.02 2.31 -37.72 2 4 1 42 225.312 3
Hi High (pH 8-9.5) 1.02 0.89 -4.23 1 4 0 38 224.304 3
Lo Low (pH 4.5-6) 1.02 4.73 -98.8 3 4 2 43 226.32 3

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

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