UCSF

ZINC06420311

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 3.50 9.69 -41.95 0 6 -1 83 402.426 7
Mid Mid (pH 6-8) 3.50 9.53 -13.26 1 6 0 80 403.434 7
Mid Mid (pH 6-8) 2.91 10.22 -22.67 0 6 0 77 403.434 7

Activity (Go SEA)

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