UCSF

ZINC20443603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 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) 2.58 5.06 -43.21 4 3 1 57 295.712 4
Hi High (pH 8-9.5) 2.58 4.78 -7.17 3 3 0 55 294.704 4

Activity (Go SEA)

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