UCSF

ZINC03813639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 Yes

CAS Number: 172152-36-2

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) 2.39 6.81 -39.57 2 6 1 74 367.454 5
Ref Reference (pH 7) 2.39 6.78 -40.05 2 6 1 74 367.454 5
Hi High (pH 8-9.5) 2.39 5.93 -52.62 0 6 -1 71 365.438 5
Hi High (pH 8-9.5) 2.39 5.9 -50.57 0 6 -1 71 365.438 5
Mid Mid (pH 6-8) 2.39 6.39 -15.73 1 6 0 73 366.446 5
Mid Mid (pH 6-8) 2.39 6.37 -15.46 1 6 0 73 366.446 5

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

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