UCSF

ZINC60089794

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 13 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) -2.30 -2.57 -74.28 10 7 1 160 190.227 5
Hi High (pH 8-9.5) -2.30 -2.84 -60.58 9 7 0 158 189.219 5

Activity (Go SEA)

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