UCSF

ZINC49575461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 2.93 6.26 -90.66 4 4 2 50 281.444 4
Hi High (pH 8-9.5) 2.93 4.93 -40.39 3 4 1 46 280.436 4

Activity (Go SEA)

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