UCSF

ZINC44713121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 1.73 4.38 -27.14 2 2 1 30 147.201 0
Hi High (pH 8-9.5) 1.73 3.97 -6.52 1 2 0 29 146.193 0

Activity (Go SEA)

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