UCSF

ZINC23006541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 19 No

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) 1.76 7.6 -44.53 0 5 -1 63 278.357 3
Mid Mid (pH 6-8) 1.30 8 -48.89 1 5 0 60 279.365 3

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

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