UCSF

ZINC22443106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 4.19 6.41 -199.81 8 4 3 75 357.651 8
Hi High (pH 8-9.5) 4.19 6.02 -110.15 7 4 2 74 356.643 8
Hi High (pH 8-9.5) 4.19 5.82 -108.91 7 4 2 71 356.643 8

Activity (Go SEA)

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