UCSF

ZINC45229187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 37 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) 5.80 15.5 -49.47 4 8 1 93 495.607 10
Lo Low (pH 4.5-6) 5.80 15.85 -83.28 5 8 2 94 496.615 10

Activity (Go SEA)

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