UCSF

ZINC33812515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 No

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) 0.35 12.73 -84.05 1 9 0 116 461.569 5
Mid Mid (pH 6-8) 0.35 7.68 -56.39 0 9 -1 114 460.561 5

Activity (Go SEA)

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