UCSF

ZINC22155272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 0.90 0.45 -12.92 3 5 0 68 267.304 3
Lo Low (pH 4.5-6) 0.90 2.68 -43.48 4 5 1 69 268.312 3

Activity (Go SEA)

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