UCSF

ZINC60028249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 39 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) 6.52 11.52 -19.46 3 7 0 104 541.673 8
Mid Mid (pH 6-8) 6.52 11.56 -54.36 2 7 -1 106 540.665 8

Activity (Go SEA)

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