UCSF

ZINC49067185

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 35 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) 4.37 16.34 -32.4 1 7 1 63 476.576 3
Mid Mid (pH 6-8) 4.37 15.9 -13.75 0 7 0 62 475.568 3

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

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