UCSF

ZINC22935664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 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) 1.54 7.69 -53.78 2 5 1 47 303.43 5
Mid Mid (pH 6-8) 1.54 8.21 -40.51 2 5 1 43 303.43 5
Lo Low (pH 4.5-6) 1.54 9.48 -136.74 3 5 2 48 304.438 5

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

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