UCSF

ZINC04157500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 33 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) 6.01 15.01 -28.48 2 5 1 49 436.535 8
Mid Mid (pH 6-8) 6.01 14.64 -14.12 1 5 0 48 435.527 8

Activity (Go SEA)

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