UCSF

ZINC36680061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 30 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) 1.45 4.32 -25.46 1 9 0 115 406.398 6
Hi High (pH 8-9.5) 1.52 2.18 -65.51 0 9 -1 121 405.39 6

Activity (Go SEA)

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