UCSF

ZINC60310023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 19 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) 2.53 7.64 -44.57 0 4 -1 44 271.369 2
Mid Mid (pH 6-8) 1.80 7.57 -9.37 1 4 0 47 272.377 2

Activity (Go SEA)

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