UCSF

ZINC52073622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 28 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) 2.78 10.69 -44.95 1 5 1 43 387.475 6
Mid Mid (pH 6-8) 2.78 8.88 -12.13 0 5 0 42 386.467 6

Activity (Go SEA)

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