UCSF

ZINC03350970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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) 4.02 7.24 -46.25 0 4 -1 61 347.416 4
Mid Mid (pH 6-8) 4.95 7.48 -15.34 1 4 0 62 348.424 3

Activity (Go SEA)

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