UCSF

ZINC22130282

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 2.53 8.3 -34.33 3 3 1 45 222.699 2
Hi High (pH 8-9.5) 2.53 7.82 -8.39 2 3 0 44 221.691 2

Activity (Go SEA)

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