UCSF

ZINC20188681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 1.27 4.33 -98 4 5 2 67 301.456 8
Hi High (pH 8-9.5) 1.27 1.8 -49.82 3 5 1 66 300.448 8

Activity (Go SEA)

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