UCSF

ZINC09560705

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 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) 2.35 -2.56 -24.54 1 9 0 112 457.508 8
Mid Mid (pH 6-8) 2.35 -2.35 -50.3 2 9 1 113 458.516 8

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

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