UCSF

ZINC20544216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 25 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) 2.92 5.42 -10.09 1 6 0 54 361.467 5
Mid Mid (pH 6-8) 2.92 7.69 -47.19 2 6 1 55 362.475 5

Activity (Go SEA)

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