UCSF

ZINC43899627

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) 3.98 7.51 -36.13 2 3 1 26 289.443 3
Mid Mid (pH 6-8) 3.98 8.59 -122.18 3 3 2 30 290.451 3
Mid Mid (pH 6-8) 3.98 6.73 -36.3 2 3 1 29 289.443 3

Activity (Go SEA)

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