UCSF

ZINC39228672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 3.83 11.47 -46.49 2 4 1 38 399.312 3
Mid Mid (pH 6-8) 3.83 9.09 -14.88 1 4 0 37 398.304 3

Activity (Go SEA)

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