UCSF

ZINC05578230

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 4.12 9.38 -61.8 0 6 -1 79 414.437 6
Mid Mid (pH 6-8) 4.56 1.48 -22.72 1 6 0 76 415.445 5
Mid Mid (pH 6-8) 3.53 1.17 -12.48 0 6 0 72 415.445 6

Activity (Go SEA)

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