UCSF

ZINC22155404

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 Yes

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) 1.26 1.31 -13.1 3 5 0 68 281.331 3
Lo Low (pH 4.5-6) 1.26 3.5 -42.84 4 5 1 69 282.339 3

Activity (Go SEA)

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