UCSF

ZINC34966800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 3.41 9.35 -13.54 0 5 0 60 334.404 3
Lo Low (pH 4.5-6) 3.41 9.81 -43.32 1 5 1 61 335.412 3

Activity (Go SEA)

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