UCSF

ZINC41191872

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 4.18 7.99 -31.69 2 2 1 29 265.446 3
Hi High (pH 8-9.5) 4.18 7.39 -4.77 1 2 0 25 264.438 3

Activity (Go SEA)

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