UCSF

ZINC06125201

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 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) 1.87 5.29 -8.38 1 3 0 42 218.3 3
Lo Low (pH 4.5-6) 1.87 5.56 -40.95 2 3 1 43 219.308 3

Activity (Go SEA)

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