UCSF

ZINC37080255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.96 7.74 -46.21 3 4 1 49 271.388 5
Hi High (pH 8-9.5) 1.96 7.35 -6.64 2 4 0 47 270.38 5

Activity (Go SEA)

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