UCSF

ZINC58633663

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 9 No

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) -0.19 0.47 -43.06 1 4 -1 64 152.11 3
Hi High (pH 8-9.5) -0.19 1.59 -133.32 0 4 -2 66 151.102 3
Mid Mid (pH 6-8) -0.19 1.9 -67.53 1 4 -1 68 152.11 3

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

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