UCSF

ZINC05408734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 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) 2.07 5.6 -59.83 0 8 -1 97 412.418 7
Mid Mid (pH 6-8) 2.51 0.51 -22.47 1 8 0 94 413.426 6

Activity (Go SEA)

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