UCSF

ZINC21639963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.29 5.75 -8.55 0 6 0 51 340.427 4
Lo Low (pH 4.5-6) 2.29 8.21 -43.27 1 6 1 52 341.435 4

Activity (Go SEA)

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