UCSF

ZINC45681924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.59 5.45 -49.51 3 7 1 83 356.45 5
Mid Mid (pH 6-8) 0.59 5.43 -46.35 3 7 1 83 356.45 5
Mid Mid (pH 6-8) 0.59 3.22 -13.83 2 7 0 81 355.442 5

Activity (Go SEA)

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