UCSF

ZINC60218171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 16 Yes

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) 1.78 5.06 -34.58 2 3 1 34 224.324 5
Hi High (pH 8-9.5) 1.78 4.74 -4.14 1 3 0 33 223.316 5

Activity (Go SEA)

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