UCSF

ZINC18060496

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 30 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) 2.87 10.35 -72.29 1 7 0 87 412.486 10
Mid Mid (pH 6-8) 2.87 9.53 -46.48 2 7 1 84 413.494 10

Activity (Go SEA)

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