UCSF

ZINC58418555

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 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) 2.37 9.86 -44.58 2 5 1 50 331.484 5
Lo Low (pH 4.5-6) 2.37 10.33 -83.86 3 5 2 51 332.492 5

Activity (Go SEA)

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