UCSF

ZINC57450119

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 17 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) 3.81 8.7 -38.46 1 3 0 45 239.29 5
Mid Mid (pH 6-8) 3.81 9.09 -46.93 0 3 -1 43 238.282 5

Activity (Go SEA)

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