UCSF

ZINC04990326

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 25 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) 3.99 10.06 -43.1 2 4 1 39 337.443 4
Mid Mid (pH 6-8) 3.99 8.87 -7.67 1 4 0 37 336.435 4

Activity (Go SEA)

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