UCSF

ZINC33822274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 21 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) 6.05 10.92 -45.97 1 3 -1 60 297.459 16
Lo Low (pH 4.5-6) 6.05 8.94 -7.58 2 3 0 58 298.467 16

Activity (Go SEA)

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