UCSF

ZINC20945220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 30 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) 2.49 6.73 -12.98 0 8 0 79 412.538 3
Mid Mid (pH 6-8) 2.49 8.94 -56.3 1 8 1 80 413.546 3

Activity (Go SEA)

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