UCSF

ZINC24101123

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 22 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) 2.63 4.35 -45.51 1 7 -1 115 329.26 4
Mid Mid (pH 6-8) 2.63 4.42 -82.65 0 7 -2 117 328.252 4
Lo Low (pH 4.5-6) 2.63 3.39 -12.85 2 7 0 112 330.268 4

Activity (Go SEA)

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