UCSF

ZINC28233902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 26 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) 3.27 8.94 -46.35 1 6 1 52 396.298 4
Mid Mid (pH 6-8) 3.27 6.79 -12.52 0 6 0 51 395.29 4

Activity (Go SEA)

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