UCSF

ZINC39229441

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 4.16 12.18 -52.29 3 5 1 62 415.561 8
Mid Mid (pH 6-8) 4.16 11.08 -10.43 2 5 0 57 414.553 8

Activity (Go SEA)

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