UCSF

ZINC37217752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

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) 0.84 4.82 -66.1 2 4 1 64 303.407 3
Mid Mid (pH 6-8) 0.84 3.79 -16.36 1 4 0 59 302.399 3
Lo Low (pH 4.5-6) 0.84 4.25 -48.38 2 4 1 60 303.407 3

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

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