UCSF

ZINC02154812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 29 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) 6.96 15.54 -9.61 0 2 0 25 374.487 6
Lo Low (pH 4.5-6) 6.96 14.08 -38.7 1 2 1 26 375.495 6
Lo Low (pH 4.5-6) 6.96 15.11 -36.54 1 2 1 26 375.495 6
Lo Low (pH 4.5-6) 6.96 15.18 -38.43 1 2 1 26 375.495 6
Lo Low (pH 4.5-6) 6.96 15.89 -35.39 1 2 1 26 375.495 6

Activity (Go SEA)

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