UCSF

ZINC06445713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 27 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) 5.35 9.94 -35.48 3 4 0 69 486.163 2
Mid Mid (pH 6-8) 6.04 8.62 -37.84 4 4 1 70 487.171 3
Mid Mid (pH 6-8) 5.35 10.68 -102.64 2 4 -1 72 485.155 2

Activity (Go SEA)

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