UCSF

ZINC35021438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.04 3.47 -5.83 0 3 0 30 245.731 3
Lo Low (pH 4.5-6) 2.04 5.67 -38.9 1 3 1 31 246.739 3

Activity (Go SEA)

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