UCSF

ZINC27745796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 29 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) 4.50 10.19 -52.31 2 5 1 46 414.957 7
Mid Mid (pH 6-8) 4.50 7.88 -9.89 1 5 0 45 413.949 7

Activity (Go SEA)

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