UCSF

ZINC28342554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 38 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) 4.46 9.1 -15.29 2 8 0 83 516.642 11
Mid Mid (pH 6-8) 4.46 11.43 -55.56 3 8 1 84 517.65 11

Activity (Go SEA)

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