UCSF

ZINC11524309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2007 32 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) 1.21 9.38 -22.15 1 6 0 79 447.922 1
Lo Low (pH 4.5-6) 1.21 9.56 -61.57 2 6 1 80 448.93 1

Activity (Go SEA)

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