UCSF

ZINC58342671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 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) 1.62 7.93 -46.69 2 6 1 67 364.491 8
Hi High (pH 8-9.5) 1.62 5.45 -9.37 1 6 0 66 363.483 8

Activity (Go SEA)

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