UCSF

ZINC13534092

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 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) 1.81 4.48 -42.86 2 4 1 32 276.404 3
Mid Mid (pH 6-8) 1.81 6.64 -110.78 3 4 2 34 277.412 3

Activity (Go SEA)

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