UCSF

ZINC09380048

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 28 No

Download: MOL2 SDF SMILES Flexibase

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) 2.88 6.23 -41.71 1 6 -1 90 445.289 7
Mid Mid (pH 6-8) 3.33 4.85 -28.64 2 6 0 87 446.297 6
Mid Mid (pH 6-8) 2.30 -3.13 -22.23 1 6 0 83 446.297 7

Activity (Go SEA)

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