UCSF

ZINC23070069

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 15 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) 1.10 5.19 -45.65 3 3 1 45 208.329 1
Lo Low (pH 4.5-6) 1.10 5.14 -100.49 4 3 2 47 209.337 1

Activity (Go SEA)

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