UCSF

ZINC08573412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2006 32 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) 4.67 6.36 -37.43 3 6 1 89 432.475 4
Lo Low (pH 4.5-6) 4.67 -1.77 -38.81 3 6 1 88 432.475 4

Activity (Go SEA)

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