UCSF

ZINC19839576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.28 5.36 -49.39 3 5 1 63 281.376 8
Hi High (pH 8-9.5) 2.28 6.3 -81 2 5 0 66 280.368 8

Activity (Go SEA)

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