UCSF

ZINC13570940

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 2.78 5.09 -14.1 2 6 0 80 363.417 3
Ref Reference (pH 7) 2.60 7.49 -13.53 2 6 0 76 363.417 3

Activity (Go SEA)

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