UCSF

ZINC62966971

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.81 6.05 -36.32 1 3 1 25 239.383 4
Hi High (pH 8-9.5) 1.81 4.02 -4.95 0 3 0 24 238.375 4
Mid Mid (pH 6-8) 1.81 6.23 -32.01 1 3 1 25 239.383 4
Mid Mid (pH 6-8) 1.81 8.34 -104.29 2 3 2 26 240.391 4

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

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