UCSF

ZINC37115958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.06 1.63 -3.67 1 3 0 24 216.35 2
Mid Mid (pH 6-8) 1.06 3.16 -40.73 2 3 1 29 217.358 2
Mid Mid (pH 6-8) 1.06 3.69 -37.97 2 3 1 26 217.358 2

Activity (Go SEA)

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