UCSF

ZINC06420379

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 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) 3.97 10.47 -40.48 0 5 -1 70 416.428 6
Mid Mid (pH 6-8) 3.97 10.2 -15.75 1 5 0 67 417.436 6
Mid Mid (pH 6-8) 3.39 10.88 -25.99 0 5 0 64 417.436 6

Activity (Go SEA)

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