UCSF

ZINC64976602

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 25 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) 3.29 2.85 -37.35 2 6 -1 97 390.75 4
Mid Mid (pH 6-8) 3.26 3.13 -113.61 3 6 2 92 391.758 4
Lo Low (pH 4.5-6) 3.29 2.81 -11.71 3 6 0 95 391.758 4

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

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