UCSF

ZINC62820611

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 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) 2.20 3.22 -34.18 3 5 1 69 281.719 2
Mid Mid (pH 6-8) 2.20 2.79 -11.25 2 5 0 67 280.711 2

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

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