UCSF

ZINC46911985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2010 31 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) 0.60 7.63 -16.12 0 8 0 75 420.517 4
Mid Mid (pH 6-8) 0.60 9.78 -54.81 1 8 1 76 421.525 4

Activity (Go SEA)

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