UCSF

ZINC48890738

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 1.14 4.01 -6.64 1 5 0 62 222.292 2
Hi High (pH 8-9.5) 1.14 3.99 -38.06 0 5 -1 60 221.284 2

Activity (Go SEA)

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