UCSF

ZINC43915800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.25 7.57 -34.47 2 3 1 29 287.427 8
Hi High (pH 8-9.5) 3.25 5.96 -4.43 1 3 0 24 286.419 8
Mid Mid (pH 6-8) 3.25 8.46 -34.43 2 3 1 26 287.427 8

Activity (Go SEA)

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