UCSF

ZINC57590846

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 24 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) 3.00 11.52 -38.48 1 5 1 51 337.484 5
Hi High (pH 8-9.5) 3.00 9.47 -13.11 0 5 0 50 336.476 5

Activity (Go SEA)

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