UCSF

ZINC33766191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 24 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) 0.07 8.09 -59.33 2 6 -1 98 351.448 9
Hi High (pH 8-9.5) 0.07 8.55 -127.14 2 6 -2 98 350.44 9

Activity (Go SEA)

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