UCSF

ZINC09464106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 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) 5.21 13.01 -56.6 0 6 -1 83 481.553 7
Mid Mid (pH 6-8) 5.65 12.12 -33.14 1 6 0 80 482.561 6
Mid Mid (pH 6-8) 4.62 13.14 -22.68 0 6 0 77 482.561 7

Activity (Go SEA)

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