UCSF

ZINC20744419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 3.10 5.99 -13.7 2 6 0 80 378.819 1
Ref Reference (pH 7) 2.92 7.9 -11.5 2 6 0 76 378.819 1

Activity (Go SEA)

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