UCSF

ZINC33902934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 No

CAS Numbers: 10238-21-8 , 23074-02-4

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) 3.01 2.32 -72.25 3 9 -1 140 509.004 9
Lo Low (pH 4.5-6) 3.38 4.25 -24.73 4 9 0 134 510.012 8

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

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