UCSF

ZINC49537198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2010 23 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) 2.12 9.22 -45.09 4 5 1 72 310.425 2
Hi High (pH 8-9.5) 2.12 7.91 -6.27 3 5 0 67 309.417 2
Mid Mid (pH 6-8) 2.12 9.71 -95.59 5 5 2 73 311.433 2
Mid Mid (pH 6-8) 2.12 9.6 -84.1 5 5 2 73 311.433 2

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

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