UCSF

ZINC22937642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 3.48 10.74 -7.33 0 6 0 59 410.514 10
Lo Low (pH 4.5-6) 3.48 12.68 -36.68 1 6 1 60 411.522 10
Lo Low (pH 4.5-6) 3.48 14.81 -118.43 2 6 2 61 412.53 10

Activity (Go SEA)

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