UCSF

ZINC60018494

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) 5.04 9.45 -23.13 2 8 0 113 563.701 8
Mid Mid (pH 6-8) 5.04 9.53 -62.62 1 8 -1 115 562.693 8

Activity (Go SEA)

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