UCSF

ZINC20535175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 30 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) 1.63 5.48 -50.79 2 7 1 76 406.51 8
Mid Mid (pH 6-8) 1.63 5.54 -50.55 2 7 1 76 406.51 8
Mid Mid (pH 6-8) 1.63 3.16 -12.61 1 7 0 74 405.502 8
Lo Low (pH 4.5-6) 1.62 5.88 -86.33 3 7 2 77 407.518 8
Lo Low (pH 4.5-6) 1.63 5.86 -88.27 3 7 2 77 407.518 8

Activity (Go SEA)

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