UCSF

ZINC28732001

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 23 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) 3.79 8.8 -40.97 2 4 1 37 318.485 6
Mid Mid (pH 6-8) 3.79 6.43 -10.47 1 4 0 36 317.477 6

Activity (Go SEA)

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