UCSF

ZINC24574070

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 23 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) 3.28 8.13 -9.96 1 5 0 50 328.441 3
Lo Low (pH 4.5-6) 3.28 8.22 -40.65 2 5 1 51 329.449 3

Activity (Go SEA)

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