UCSF

ZINC14089228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 36 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) -4.74 -11.8 -57.84 9 16 -1 270 521.5 13

Activity (Go SEA)

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