UCSF

ZINC44518382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) 0.58 4.24 -94.37 3 3 2 24 201.358 5
Hi High (pH 8-9.5) 0.58 3 -32.31 2 3 1 20 200.35 5
Mid Mid (pH 6-8) 0.58 5.48 -76.13 3 3 2 21 201.358 5
Mid Mid (pH 6-8) 0.58 6.7 -179.77 4 3 3 25 202.366 5

Activity (Go SEA)

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