UCSF

ZINC20606929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 2.56 9.59 -11.08 0 6 0 54 409.559 6
Mid Mid (pH 6-8) 2.56 11.87 -52.06 1 6 1 55 410.567 6

Activity (Go SEA)

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