UCSF

ZINC35609668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 13 No

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) -0.43 -0.88 -9.88 1 4 0 44 184.239 3
Lo Low (pH 4.5-6) -0.43 1.42 -40.87 2 4 1 45 185.247 3

Activity (Go SEA)

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