UCSF

ZINC35698128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.94 5.21 -20.69 1 5 0 72 338.435 2
Mid Mid (pH 6-8) 1.40 3.91 -48.97 0 5 -1 75 337.427 2

Activity (Go SEA)

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