UCSF

ZINC44018585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 44 No

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) 8.80 13.74 -52.88 1 11 -1 149 607.728 22
Mid Mid (pH 6-8) 8.57 16.28 -20.09 2 11 0 145 608.736 22
Lo Low (pH 4.5-6) 8.80 13.73 -53.11 1 11 -1 149 607.728 22

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

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