UCSF

ZINC38025004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 12 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) -0.13 2.9 -47.37 2 4 0 65 175.228 7
Hi High (pH 8-9.5) -0.13 0.73 -44.4 1 4 -1 64 174.22 7

Activity (Go SEA)

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