UCSF

ZINC69236855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 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) 2.81 5.83 -39.24 3 2 1 31 253.435 7
Hi High (pH 8-9.5) 2.81 5.44 -1.5 2 2 0 29 252.427 7
Lo Low (pH 4.5-6) 2.81 7.31 -118.5 4 2 2 32 254.443 7

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

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