UCSF

ZINC37225308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 1.73 6.05 -49.67 2 3 1 37 259.732 4
Hi High (pH 8-9.5) 1.73 4.96 -9.01 1 3 0 32 258.724 4

Activity (Go SEA)

Rings

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