UCSF

ZINC42767426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.17 3.36 -34.11 4 5 1 77 237.327 6
Mid Mid (pH 6-8) 0.17 3.43 -4.52 3 5 0 75 236.319 6

Activity (Go SEA)

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