UCSF

ZINC36137867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.56 3.09 -46.79 1 6 -1 82 311.383 7
Lo Low (pH 4.5-6) 0.56 1.11 -10.03 2 6 0 79 312.391 7
Lo Low (pH 4.5-6) 0.56 3.47 -41.63 3 6 1 80 313.399 7
Lo Low (pH 4.5-6) 0.56 5.45 -64.73 2 6 0 83 312.391 7

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

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