UCSF

ZINC59677265

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 41 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) 5.32 14.19 -42.02 3 8 1 80 555.699 9
Mid Mid (pH 6-8) 5.32 11.84 -10.42 2 8 0 79 554.691 9

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

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