UCSF

ZINC60256297

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 42 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) 4.06 20.13 -100.6 2 6 2 57 597.219 13
Hi High (pH 8-9.5) 4.06 18.79 -39.85 1 6 1 53 596.211 13

Activity (Go SEA)

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