UCSF

ZINC59522400

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 23 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) 7.75 13.33 -13.73 3 2 0 30 319.557 13
Mid Mid (pH 6-8) 7.75 13.23 -2.76 2 2 0 29 318.549 13

Activity (Go SEA)

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