UCSF

ZINC61820292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 2.08 6.14 -34.97 4 3 1 55 250.341 2
Lo Low (pH 4.5-6) 2.08 6.43 -87.51 5 3 2 56 251.349 2

Activity (Go SEA)

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