UCSF

ZINC28182812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 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) 5.00 12.57 -38.92 1 6 0 72 434.536 8
Mid Mid (pH 6-8) 5.00 11.77 -53.2 2 6 1 69 435.544 8

Activity (Go SEA)

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