UCSF

ZINC34755808

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 6.88 18.52 -46.83 1 4 1 33 483.705 5
Mid Mid (pH 6-8) 6.88 16.63 -7.48 0 4 0 32 482.697 5

Activity (Go SEA)

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