UCSF

ZINC36681105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 28 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) 1.80 4.7 -24.17 1 8 0 105 441.241 4
Hi High (pH 8-9.5) 1.87 2.56 -64.13 0 8 -1 112 440.233 4

Activity (Go SEA)

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