UCSF

ZINC17889141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 26 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) 3.05 4.29 -43.15 0 6 -1 68 370.816 3
Ref Reference (pH 7) 3.05 4.11 -40.1 0 6 -1 68 370.816 3
Mid Mid (pH 6-8) 3.05 4.87 -53.5 1 6 0 69 371.824 3
Mid Mid (pH 6-8) 3.05 5.07 -64.52 1 6 0 69 371.824 3

Activity (Go SEA)

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