UCSF

ZINC50192638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 16 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) 4.18 6.19 -38.7 3 2 1 37 283.606 5
Hi High (pH 8-9.5) 4.18 5.82 -2.15 2 2 0 35 282.598 5

Activity (Go SEA)

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