UCSF

ZINC20579070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 3.89 12.24 -52.65 2 6 1 64 426.972 5
Hi High (pH 8-9.5) 3.89 10 -13.25 1 6 0 63 425.964 5

Activity (Go SEA)

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