UCSF

ZINC69051522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 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) 4.22 10.53 -40.32 1 4 0 58 286.375 4
Mid Mid (pH 6-8) 4.22 10.21 -50.12 0 4 -1 56 285.367 4

Activity (Go SEA)

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