UCSF

ZINC13816462

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 31 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) 4.99 13.23 -45.55 0 4 -1 60 412.44 4
Ref Reference (pH 7) 4.99 13.01 -49.8 0 4 -1 60 412.44 5
Mid Mid (pH 6-8) 4.99 12.55 -18.97 1 4 0 58 413.448 4
Mid Mid (pH 6-8) 4.41 12.93 -9.97 0 4 0 54 413.448 5
Lo Low (pH 4.5-6) 4.99 12.26 -10.32 1 4 0 58 413.448 5

Activity (Go SEA)

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