UCSF

ZINC31977330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

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) 2.69 5.59 -7.57 0 3 0 29 225.723 2
Mid Mid (pH 6-8) 2.69 5.64 -28.83 1 3 1 30 226.731 2

Activity (Go SEA)

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