UCSF

ZINC35126817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 0.26 2.95 -40.38 3 4 1 59 220.296 3
Lo Low (pH 4.5-6) 0.26 3.41 -86.05 4 4 2 60 221.304 3

Activity (Go SEA)

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