UCSF

ZINC01953868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 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) 1.30 1.15 -14.17 4 11 0 157 328.292 4
Hi High (pH 8-9.5) 1.30 1.92 -58.15 3 11 -1 160 327.284 4
Lo Low (pH 4.5-6) 1.30 1.47 -38.78 5 11 1 159 329.3 4

Activity (Go SEA)

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