UCSF

ZINC34686253

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 1.83 8.17 -15.67 0 8 0 72 481.593 9
Mid Mid (pH 6-8) 1.83 10.44 -58.35 1 8 1 73 482.601 9

Activity (Go SEA)

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