UCSF

ZINC20744606

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) 2.14 5.56 -12.78 1 7 0 80 374.4 2
Ref Reference (pH 7) 1.95 8.02 -10.88 1 7 0 76 374.4 2

Activity (Go SEA)

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