UCSF

ZINC28951723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 21 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) 5.73 10.77 -8.11 1 3 0 41 299.443 2
Lo Low (pH 4.5-6) 4.81 10.94 -24.24 2 3 1 39 300.451 3
Lo Low (pH 4.5-6) 5.73 10.85 -26.6 2 3 1 42 300.451 2

Activity (Go SEA)

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