UCSF

ZINC17148925

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 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) 5.73 7.08 -17.1 2 6 0 99 456.523 6
Hi High (pH 8-9.5) 5.73 6.83 -57.66 1 6 -1 102 455.515 6
Hi High (pH 8-9.5) 5.73 7.47 -95.21 0 6 -2 105 454.507 6
Lo Low (pH 4.5-6) 5.73 6.46 -59.13 3 6 1 101 457.531 6
Lo Low (pH 4.5-6) 5.73 6.71 -45.84 3 6 1 101 457.531 6

Activity (Go SEA)

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