UCSF

ZINC36359561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 4.32 7.7 -15.85 1 7 0 89 423.835 3
Ref Reference (pH 7) 4.13 10.44 -13.62 1 7 0 86 423.835 3

Activity (Go SEA)

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