UCSF

ZINC72187471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2012 27 No

CAS Number: 36062-04-1

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) 0.29 6.27 -21.1 2 6 0 93 372.417 8
Ref Reference (pH 7) 0.29 6.97 -20.01 2 6 0 93 372.417 8
Hi High (pH 8-9.5) 1.04 5.2 -56.28 2 6 -1 99 371.409 7
Hi High (pH 8-9.5) 1.04 5.9 -54.36 2 6 -1 99 371.409 7

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

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