UCSF

ZINC22935754

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) 3.39 9.07 -48.62 1 6 1 56 411.453 4
Hi High (pH 8-9.5) 3.39 6.21 -12.56 0 6 0 55 410.445 4
Lo Low (pH 4.5-6) 3.39 8.48 -47.76 1 6 1 56 411.453 4

Activity (Go SEA)

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