UCSF

ZINC17889361

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 32 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) 1.57 5.75 -13.67 1 8 0 82 434.496 4
Ref Reference (pH 7) 1.57 5.74 -13.7 1 8 0 82 434.496 4
Mid Mid (pH 6-8) 1.57 7.92 -49.95 2 8 1 83 435.504 4
Mid Mid (pH 6-8) 1.57 7.93 -49.25 2 8 1 83 435.504 4

Activity (Go SEA)

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