UCSF

ZINC05562113

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 5.38 10.01 -10.16 1 4 0 49 333.435 3
Mid Mid (pH 6-8) 5.39 11.15 -35.32 1 4 0 53 333.435 3

Activity (Go SEA)

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