UCSF

ZINC59838586

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 14 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) 1.37 4.56 -49.09 1 3 -1 60 193.222 5
Lo Low (pH 4.5-6) 1.37 2.4 -7.12 2 3 0 58 194.23 5

Activity (Go SEA)

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