UCSF

ZINC37142296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 0.98 7.04 -66.82 2 5 1 70 288.371 5
Hi High (pH 8-9.5) 0.98 5.85 -14.79 1 5 0 65 287.363 5

Activity (Go SEA)

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