UCSF

ZINC22172255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 31 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) 3.40 9.12 -8.7 2 5 0 101 409.468 3
Lo Low (pH 4.5-6) 3.40 11.48 -49.49 3 5 1 102 410.476 3

Activity (Go SEA)

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