UCSF

ZINC19893237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.79 12.81 -50.65 2 4 1 37 414.573 6
Mid Mid (pH 6-8) 3.79 12.88 -46.43 2 4 1 37 414.573 6
Mid Mid (pH 6-8) 3.79 10.5 -10.66 1 4 0 36 413.565 6

Activity (Go SEA)

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