UCSF

ZINC39038428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 12 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) 1.10 0.31 -6.29 3 4 0 60 167.212 3
Lo Low (pH 4.5-6) 1.10 0.16 -45.48 4 4 1 62 168.22 3

Activity (Go SEA)

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