UCSF

ZINC34938987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.33 2.68 -46.68 2 5 -1 87 317.177 3
Mid Mid (pH 6-8) 2.33 2.76 -11.27 3 5 0 85 318.185 3

Activity (Go SEA)

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