UCSF

ZINC49538875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 16 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) 0.26 1.45 -39.02 3 4 1 51 242.368 5
Hi High (pH 8-9.5) 0.26 1.57 -41.77 3 4 1 51 242.368 5
Hi High (pH 8-9.5) 0.26 0.02 -5.95 2 4 0 46 241.36 5
Mid Mid (pH 6-8) 0.26 2.73 -127.29 4 4 2 55 243.376 5

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

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