UCSF

ZINC41604419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

CAS Number: N/A

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) 1.64 6.48 -16.46 1 9 0 101 359.386 5
Mid Mid (pH 6-8) 2.10 5.47 -45.25 0 9 -1 104 358.378 5

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

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