UCSF

ZINC37895369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 14 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) 0.88 6.35 -49.47 0 4 -1 60 196.226 4
Lo Low (pH 4.5-6) 0.88 4.35 -9.4 1 4 0 58 197.234 4

Activity (Go SEA)

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