UCSF

ZINC42166350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 No

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) 2.19 2.79 -40.16 4 7 1 112 266.277 4
Hi High (pH 8-9.5) 2.19 3.55 -59.33 3 7 0 115 265.269 4

Activity (Go SEA)

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