UCSF

ZINC44679211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.41 3.41 -42.79 2 5 1 63 347.258 4
Mid Mid (pH 6-8) 1.41 3.29 -31.71 1 5 0 66 346.25 4

Activity (Go SEA)

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