UCSF

ZINC53391840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 2.21 4.93 -36.54 2 3 1 29 241.399 7
Hi High (pH 8-9.5) 2.21 3.76 -2.28 1 3 0 24 240.391 7
Lo Low (pH 4.5-6) 2.21 7.23 -111.19 3 3 2 30 242.407 7

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

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