UCSF

ZINC21790006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 3.08 3.42 -12.52 1 6 0 81 360.826 5
Lo Low (pH 4.5-6) 3.08 3.87 -49.51 2 6 1 82 361.834 5

Activity (Go SEA)

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