UCSF

ZINC42579723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.06 7.05 -112.52 4 2 2 32 230.44 8
Mid Mid (pH 6-8) 3.06 5.13 -40.92 3 2 1 31 229.432 8
Mid Mid (pH 6-8) 3.06 6.75 -25.21 3 2 1 30 229.432 8

Activity (Go SEA)

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