UCSF

ZINC42776274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.72 7.65 -15.46 0 5 0 66 302.252 7
Mid Mid (pH 6-8) 2.72 9.55 -52.72 1 5 1 67 303.26 7

Activity (Go SEA)

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