UCSF

ZINC43446332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.71 2.86 -6.19 1 4 0 48 189.255 8
Mid Mid (pH 6-8) 0.71 4.21 -39.05 2 4 1 52 190.263 8

Activity (Go SEA)

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