UCSF

ZINC34969854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) 4.91 10.75 -7.9 1 5 0 53 425.617 8
Mid Mid (pH 6-8) 4.91 13.02 -50.43 2 5 1 54 426.625 8

Activity (Go SEA)

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