UCSF

ZINC11804504

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 19 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) 0.81 -4.68 -111.71 1 7 -2 126 285.277 6

Activity (Go SEA)

Rings

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