UCSF

ZINC09088556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 19 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) 3.47 5.64 -8.92 1 4 0 58 287.369 2
Ref Reference (pH 7) 2.98 5.21 -38.49 0 4 -1 57 286.361 3
Hi High (pH 8-9.5) 3.93 3.87 -47.53 0 4 -1 61 286.361 2
Lo Low (pH 4.5-6) 3.93 -4.34 -33.8 2 4 1 59 288.377 2
Lo Low (pH 4.5-6) 2.98 5.64 -38.62 1 4 0 58 287.369 3

Activity (Go SEA)

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