UCSF

ZINC35054360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 3.18 8.36 -35.3 2 2 1 16 328.249 4
Mid Mid (pH 6-8) 3.18 7.35 -48.7 2 2 1 20 328.249 4

Activity (Go SEA)

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