UCSF

ZINC33793174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 5.88 17.22 -54.5 1 5 1 45 516.747 14
Hi High (pH 8-9.5) 5.88 14.69 -13.19 0 5 0 44 515.739 14

Activity (Go SEA)

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