UCSF

ZINC43460979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.94 5.25 -37.61 3 4 1 58 282.165 2
Hi High (pH 8-9.5) 1.94 4.36 -31.02 2 4 0 56 281.157 2
Mid Mid (pH 6-8) 1.94 5.3 -37.42 3 4 1 58 282.165 2

Activity (Go SEA)

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