UCSF

ZINC40478403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 27 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) 3.82 10.61 -9.23 1 5 0 52 364.424 3
Ref Reference (pH 7) 3.82 10.45 -8.41 1 5 0 52 364.424 3
Mid Mid (pH 6-8) 3.82 10.32 -44.05 2 5 1 53 365.432 3
Mid Mid (pH 6-8) 3.82 10.54 -38.58 2 5 1 53 365.432 3

Activity (Go SEA)

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