UCSF

ZINC49778212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 19 No

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) 2.04 3.42 -46.68 1 6 -1 80 300.125 1
Mid Mid (pH 6-8) 1.85 5 -11.7 2 6 0 74 301.133 1

Activity (Go SEA)

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