UCSF

ZINC43895307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.78 6.52 -101.51 3 2 2 21 202.386 6
Hi High (pH 8-9.5) 2.78 5.42 -34.05 2 2 1 20 201.378 6
Mid Mid (pH 6-8) 2.78 6.24 -25.93 2 2 1 16 201.378 6

Activity (Go SEA)

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