UCSF

ZINC17887635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 27 Yes

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) 4.39 10.4 -7.73 1 4 0 49 365.521 6
Mid Mid (pH 6-8) 4.85 11.42 -38.78 1 4 0 53 365.521 6
Mid Mid (pH 6-8) 4.39 12.32 -50.78 2 4 1 50 366.529 6

Activity (Go SEA)

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