UCSF

ZINC60220194

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.31 2.38 -37.58 0 7 -1 88 253.625 2
Hi High (pH 8-9.5) -0.22 1.19 -99.95 0 7 -2 94 252.617 1
Mid Mid (pH 6-8) -0.22 1.81 -44.88 1 7 -1 96 253.625 1
Mid Mid (pH 6-8) 0.31 2.92 -12.8 1 7 0 90 254.633 2

Activity (Go SEA)

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