UCSF

ZINC49754096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 17 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) 1.61 3.61 -9.31 0 5 0 48 247.335 12
Mid Mid (pH 6-8) 1.61 5.78 -37.25 1 5 1 49 248.343 12

Activity (Go SEA)

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