UCSF

ZINC36081791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 30 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) 3.98 8.2 -85.33 5 10 1 168 419.458 13
Mid Mid (pH 6-8) 3.98 7.55 -121.11 6 10 2 165 420.466 13

Activity (Go SEA)

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