UCSF

ZINC61821154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 16 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) 1.81 9.36 -9.74 1 4 0 37 240.376 2
Mid Mid (pH 6-8) 2.53 9.49 -44.87 0 4 -1 34 239.368 2

Activity (Go SEA)

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