UCSF

ZINC26442857

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 18 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) 2.25 5.68 -36.07 3 4 1 53 264.374 4
Mid Mid (pH 6-8) 2.25 5.74 -39.25 2 4 0 50 263.366 4
Mid Mid (pH 6-8) 2.25 3.26 -7.48 2 4 0 51 263.366 4
Lo Low (pH 4.5-6) 2.25 6.11 -89.55 4 4 2 54 265.382 4

Activity (Go SEA)

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