UCSF

ZINC20668468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 3.63 8.69 -11.96 0 5 0 40 365.477 7
Mid Mid (pH 6-8) 3.63 9.09 -32.91 1 5 1 41 366.485 7

Activity (Go SEA)

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