UCSF

ZINC14019711

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 33 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) 1.83 9.32 -45.11 1 7 1 58 469.631 5
Mid Mid (pH 6-8) 1.83 7.62 -15.87 0 7 0 56 468.623 5

Activity (Go SEA)

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