UCSF

ZINC44830628

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) -0.03 3.86 -15.51 2 5 0 62 284.41 3
Lo Low (pH 4.5-6) -0.03 4.31 -38.62 3 5 1 64 285.418 3

Activity (Go SEA)

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