UCSF

ZINC00002099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

CAS Number: 32909-92-5

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) 0.68 -2.86 -46.53 2 7 -1 109 285.33 4
Lo Low (pH 4.5-6) 0.68 -3.02 -76.43 3 7 0 111 286.338 4
Lo Low (pH 4.5-6) 0.68 -2.56 -10.12 3 7 0 107 286.338 4

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

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