UCSF

ZINC12551843

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 31 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) 3.64 8.83 -17.03 1 6 0 73 413.477 7
Lo Low (pH 4.5-6) 3.64 9.11 -56.81 2 6 1 75 414.485 7

Activity (Go SEA)

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