UCSF

ZINC21540602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 5.72 8.32 -6.84 0 5 0 40 442.485 4
Lo Low (pH 4.5-6) 5.72 9.97 -40.22 1 5 1 42 443.493 4

Activity (Go SEA)

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