UCSF

ZINC13403686

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 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) 5.43 6.44 -8.83 2 4 0 67 364.441 2
Hi High (pH 8-9.5) 5.43 7 -49.78 1 4 -1 70 363.433 2

Activity (Go SEA)

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