UCSF

ZINC43395770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.07 2.09 -93.96 5 4 2 65 211.309 5
Mid Mid (pH 6-8) 0.07 1.53 -47.19 4 4 1 64 210.301 5

Activity (Go SEA)

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