UCSF

ZINC25440790

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 3.30 5.42 -39.83 1 7 -1 91 342.766 4
Lo Low (pH 4.5-6) 3.30 5.56 -12.14 2 7 0 93 343.774 4

Activity (Go SEA)

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