UCSF

ZINC20737351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 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) 3.30 6.17 -12.06 2 6 0 80 372.428 1
Ref Reference (pH 7) 3.11 8.8 -9.99 2 6 0 76 372.428 1

Activity (Go SEA)

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