UCSF

ZINC39970764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 32 No

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) 4.27 11.96 -56.43 2 6 1 57 479.736 6
Mid Mid (pH 6-8) 4.27 9.81 -14.15 1 6 0 56 478.728 6

Activity (Go SEA)

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