UCSF

ZINC37001100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 0.09 0.09 -40.82 4 4 1 66 231.341 2
Mid Mid (pH 6-8) 0.09 -1.13 -10.08 3 4 0 61 230.333 2

Activity (Go SEA)

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