UCSF

ZINC21793345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.23 5.13 -6.21 1 3 0 32 204.273 1
Lo Low (pH 4.5-6) 3.23 5.39 -37.85 2 3 1 37 205.281 1

Activity (Go SEA)

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