UCSF

ZINC35432142

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 0.99 6.15 -61.83 1 5 0 61 252.314 4
Hi High (pH 8-9.5) 0.99 3.87 -49.41 0 5 -1 60 251.306 4
Mid Mid (pH 6-8) 0.99 6.15 -68.98 1 5 0 61 252.314 4

Activity (Go SEA)

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