UCSF

ZINC09914500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 33 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) 3.78 -1.15 -48.24 1 6 1 71 513.08 10

Activity (Go SEA)

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