UCSF

ZINC12024496

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 32 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) 4.94 13.47 -54.51 2 5 1 51 452.022 6
Hi High (pH 8-9.5) 4.94 11.26 -15.5 1 5 0 50 451.014 6

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

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