UCSF

ZINC59090989

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 35 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) 7.04 16.24 -71.54 1 5 0 65 561.948 13
Lo Low (pH 4.5-6) 7.04 15.49 -53.06 2 5 1 62 562.956 13

Activity (Go SEA)

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