UCSF

ZINC38220536

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 13 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) 1.88 1.4 -9.51 1 3 0 42 175.187 1
Hi High (pH 8-9.5) 1.88 2.16 -45.89 0 3 -1 45 174.179 1
Hi High (pH 8-9.5) 1.88 2.64 -19.67 1 3 0 46 175.187 1

Activity (Go SEA)

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