UCSF

ZINC20597113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 15 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) 0.83 0.12 -40.32 4 4 1 66 272.122 3
Mid Mid (pH 6-8) 0.83 -1.24 -11.8 3 4 0 61 271.114 3

Activity (Go SEA)

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