UCSF

ZINC61496216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 No

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) 2.92 4.21 -9.8 0 4 0 52 318.174 3
Lo Low (pH 4.5-6) 2.92 4.66 -34.01 1 4 1 53 319.182 3

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

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