UCSF

ZINC41677782

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.10 7.98 -12.36 1 5 0 60 241.316 6
Mid Mid (pH 6-8) 0.83 8.15 -46.18 0 5 -1 57 240.308 6

Activity (Go SEA)

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