UCSF

ZINC27529507

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 36 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) 5.82 11.37 -13.22 2 6 0 65 492.66 14
Lo Low (pH 4.5-6) 5.82 11.35 -28.43 3 6 0 67 493.668 14

Activity (Go SEA)

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