UCSF

ZINC09763546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 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) 1.16 5.97 -9.96 1 5 0 62 303.406 5
Lo Low (pH 4.5-6) 1.16 6.34 -40.22 2 5 1 64 304.414 5

Activity (Go SEA)

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