UCSF

ZINC39133835

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 No

CAS Number: 185451-37-0

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) -1.16 1.22 -16.86 1 5 0 62 155.157 1
Mid Mid (pH 6-8) -0.37 -0.55 -52.94 1 5 -1 70 154.149 1
Mid Mid (pH 6-8) -0.19 -2.51 -20.69 2 5 0 76 155.157 0

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

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