UCSF

ZINC22358337

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 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) 5.33 9.12 -44.48 0 5 -1 64 448.973 8
Lo Low (pH 4.5-6) 4.87 10.21 -14.78 1 5 0 61 449.981 8

Activity (Go SEA)

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