UCSF

ZINC24116235

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 37 No

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) 4.94 13.47 -70.89 1 7 0 83 504.627 14
Hi High (pH 8-9.5) 4.94 11.15 -57.88 0 7 -1 82 503.619 14

Activity (Go SEA)

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