UCSF

ZINC41664719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.25 -0.2 -43.85 2 7 -1 110 309.352 3
Lo Low (pH 4.5-6) 1.25 -0.34 -15.04 3 7 0 108 310.36 3

Activity (Go SEA)

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