UCSF

ZINC04499994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 26 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) 1.86 1.72 -54.07 2 9 -1 128 372.386 6
Mid Mid (pH 6-8) 2.04 1.99 -43.95 2 9 -1 128 372.386 5
Mid Mid (pH 6-8) 1.86 1.75 -121.49 1 9 -2 126 371.378 6

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

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