UCSF

ZINC04582786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 20 Yes

Other Names:

MFCD03939410

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) 4.64 8.64 -9.56 0 2 0 26 256.308 0
Lo Low (pH 4.5-6) 4.64 9.53 -33.84 1 2 1 27 257.316 0
Lo Low (pH 4.5-6) 4.64 9.05 -35.79 1 2 1 27 257.316 0

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

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