UCSF

ZINC34591458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 1.77 13.3 -50.2 1 8 1 82 380.856 6
Mid Mid (pH 6-8) 1.77 10.94 -11.73 0 8 0 81 379.848 6

Activity (Go SEA)

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