UCSF

ZINC62535087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 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) 0.35 6.33 -32.5 2 5 1 57 238.311 7
Hi High (pH 8-9.5) 0.35 5.2 -11.95 1 5 0 56 237.303 7
Mid Mid (pH 6-8) 0.35 7.2 -96.43 3 5 2 62 239.319 7

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

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