UCSF

ZINC13787559

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 31 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) 3.59 9.31 -14.57 1 6 0 59 412.493 5
Mid Mid (pH 6-8) 3.59 9.75 -34.7 2 6 1 61 413.501 5

Activity (Go SEA)

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