UCSF

ZINC48235812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 32 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) 4.08 10.83 -11.94 0 6 0 66 433.552 7
Mid Mid (pH 6-8) 4.08 12.78 -51.81 1 6 1 67 434.56 7

Activity (Go SEA)

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