UCSF

ZINC43895642

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) 2.56 7.25 -99.96 3 2 2 21 202.386 7
Hi High (pH 8-9.5) 2.56 6.06 -31.94 2 2 1 16 201.378 7
Mid Mid (pH 6-8) 2.56 5.47 -33.56 2 2 1 20 201.378 7

Activity (Go SEA)

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