UCSF

ZINC34574790

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 2.31 2.86 -10.82 2 4 0 67 260.22 0
Mid Mid (pH 6-8) 2.31 3.79 -45.76 1 4 -1 70 259.212 0

Activity (Go SEA)

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