UCSF

ZINC43907664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.85 8.68 -85.69 3 3 2 24 295.515 3
Mid Mid (pH 6-8) 2.85 8.21 -114.7 3 3 2 24 295.515 3
Lo Low (pH 4.5-6) 2.85 10.61 -202.62 4 3 3 25 296.523 3

Activity (Go SEA)

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