UCSF

ZINC72135012

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2012 21 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) -0.51 -4.2 -10.85 4 6 0 99 296.319 3

Activity (Go SEA)

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