UCSF

ZINC34603504

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 0.22 7.72 -106.57 3 7 0 102 393.39 3
Hi High (pH 8-9.5) 0.22 7.57 -65.64 2 7 -1 101 392.382 3
Mid Mid (pH 6-8) 0.22 5.7 -63.54 4 7 1 99 394.398 3
Lo Low (pH 4.5-6) -2.52 5.86 -90.46 4 7 1 105 394.398 2

Activity (Go SEA)

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