UCSF

ZINC24912311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 30 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) 2.33 7.36 -51.64 2 6 1 57 405.522 3
Mid Mid (pH 6-8) 2.33 5.15 -13.97 1 6 0 56 404.514 3

Activity (Go SEA)

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