UCSF

ZINC19775673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 2.72 6.57 -40.44 4 4 1 60 264.393 7
Hi High (pH 8-9.5) 2.72 4.5 -10.78 3 4 0 58 263.385 7

Activity (Go SEA)

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