UCSF

ZINC35512287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.56 10.85 -12.61 1 5 0 48 390.462 4
Mid Mid (pH 6-8) 3.56 11.32 -42.32 2 5 1 50 391.47 4

Activity (Go SEA)

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