UCSF

ZINC41712687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) -0.74 5.47 -88.36 6 6 2 88 289.383 6
Mid Mid (pH 6-8) -0.74 4.95 -53.88 5 6 1 87 288.375 6

Activity (Go SEA)

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