UCSF

ZINC12446954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 25 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) 5.08 11.99 -69.08 0 4 -1 56 413.272 2
Mid Mid (pH 6-8) 4.35 11.57 -31.13 1 4 0 59 414.28 2

Activity (Go SEA)

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