UCSF

ZINC35450432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.85 12.69 -22.41 1 7 0 86 460.559 7

Activity (Go SEA)

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