UCSF

ZINC04863920

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 2.88 0.96 -13.03 1 6 0 83 360.369 4
Mid Mid (pH 6-8) 2.30 0.8 -15.54 0 6 0 80 360.369 4
Lo Low (pH 4.5-6) 3.33 0.8 -48.94 2 6 1 84 361.377 3

Activity (Go SEA)

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