UCSF

ZINC13126955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 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) 1.97 10.9 -14.4 1 5 0 60 280.331 1
Mid Mid (pH 6-8) 2.30 11.02 -45.52 2 5 1 64 281.339 1
Lo Low (pH 4.5-6) 2.71 9.54 -43.26 1 5 -1 66 279.323 1

Activity (Go SEA)

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