UCSF

ZINC62939425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 13 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) -0.63 2.17 -53.06 2 6 1 63 183.239 1
Hi High (pH 8-9.5) -0.63 0.81 -8.15 1 6 0 59 182.231 1

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

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