UCSF

ZINC04809926

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 21 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) 2.35 7.79 -11.86 1 4 0 47 279.343 5
Mid Mid (pH 6-8) 2.35 8.29 -33.67 2 4 1 48 280.351 5

Activity (Go SEA)

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