UCSF

ZINC35658009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 2.60 7.05 -4.67 1 2 0 25 238.334 3
Mid Mid (pH 6-8) 2.60 8.07 -44.85 2 2 1 29 239.342 3

Activity (Go SEA)

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