UCSF

ZINC21800230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.54 11.64 -59.53 2 6 1 61 413.501 5
Mid Mid (pH 6-8) 3.54 9.25 -18.86 1 6 0 59 412.493 5
Mid Mid (pH 6-8) 3.54 9.81 -37.39 2 6 1 61 413.501 5

Activity (Go SEA)

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