UCSF

ZINC26161287

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 1.88 6.17 -35.56 3 5 1 66 315.393 7
Mid Mid (pH 6-8) 1.88 4.13 -13.63 2 5 0 65 314.385 7

Activity (Go SEA)

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