UCSF

ZINC35445980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 35 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) 3.23 9.76 -21.36 1 8 0 82 476.577 5

Activity (Go SEA)

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