UCSF

ZINC60676973

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 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) 0.89 4.08 -9.24 0 3 0 24 224.329 2
Lo Low (pH 4.5-6) 0.89 6.23 -43.07 1 3 1 25 225.337 2

Activity (Go SEA)

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