UCSF

ZINC34962759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 0.96 7.19 -49.16 3 5 -1 95 297.334 5
Lo Low (pH 4.5-6) 0.96 5.21 -11.52 4 5 0 92 298.342 5

Activity (Go SEA)

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