UCSF

ZINC42895581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.26 5.7 -43.81 3 3 1 46 258.341 6
Hi High (pH 8-9.5) 3.26 4.54 -6.2 2 3 0 41 257.333 6

Activity (Go SEA)

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