UCSF

ZINC35020106

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.48 9.43 -40.83 1 2 1 22 330.189 3
Mid Mid (pH 6-8) 3.48 7.26 -5.86 0 2 0 20 329.181 3

Activity (Go SEA)

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