UCSF

ZINC36193981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.82 3.12 -6.59 2 4 0 53 260.337 1
Lo Low (pH 4.5-6) 1.82 3.76 -39.98 3 4 1 54 261.345 1

Activity (Go SEA)

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