UCSF

ZINC16227780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 22 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) 3.69 7.52 -9.81 1 4 0 55 316.357 5
Lo Low (pH 4.5-6) 3.69 7.9 -38.21 2 4 1 56 317.365 5

Activity (Go SEA)

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