UCSF

ZINC11892100

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 13 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) 2.28 0.33 -97.38 3 2 2 21 186.343 5

Activity (Go SEA)

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