UCSF

ZINC00002059

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

CAS Number: 64700-55-6

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) 3.75 5.15 -12.43 2 4 0 59 257.289 4
Hi High (pH 8-9.5) 3.75 6.16 -57.05 1 4 -1 61 256.281 4

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

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