UCSF

ZINC21518459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 4.64 6.77 -44.88 3 3 1 46 306.813 5
Hi High (pH 8-9.5) 4.64 7.56 -49.31 2 3 0 49 305.805 5
Hi High (pH 8-9.5) 4.64 5.68 -7.44 2 3 0 41 305.805 5

Activity (Go SEA)

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