UCSF

ZINC44693252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) -1.01 1.32 -48.8 1 6 -1 88 218.229 9
Lo Low (pH 4.5-6) -1.01 -0.66 -10.97 2 6 0 85 219.237 9

Activity (Go SEA)

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