UCSF

ZINC34641994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 0.71 11.76 -111.72 2 6 0 82 409.408 5
Mid Mid (pH 6-8) -2.04 8.52 -98.5 3 6 1 85 410.416 4

Activity (Go SEA)

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