UCSF

ZINC34843650

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 22 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) 2.32 3.77 -53.93 3 5 1 80 322.406 6
Hi High (pH 8-9.5) 2.32 2.27 -11.7 2 5 0 76 321.398 6

Activity (Go SEA)

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