UCSF

ZINC06749276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 4.78 -1.23 -11.08 1 4 0 46 399.538 3
Mid Mid (pH 6-8) 4.78 -0.92 -29.65 2 4 1 48 400.546 3

Activity (Go SEA)

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