UCSF

ZINC17251375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 23 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) 2.91 3.46 -11.59 2 6 0 88 327.365 3
Ref Reference (pH 7) 2.42 3.02 -40.11 1 6 -1 86 326.357 4
Ref Reference (pH 7) 2.91 3.07 -11.18 2 6 0 88 327.365 3
Hi High (pH 8-9.5) 3.37 1.75 -47.81 1 6 -1 91 326.357 3
Hi High (pH 8-9.5) 3.37 1.06 -47.1 1 6 -1 91 326.357 3
Lo Low (pH 4.5-6) 2.91 3.75 -39.15 3 6 1 89 328.373 3
Lo Low (pH 4.5-6) 2.42 3.46 -43.59 2 6 0 88 327.365 4

Activity (Go SEA)

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