UCSF

ZINC08845530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 24 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) 3.19 6.18 -12.41 2 5 0 69 319.364 2
Mid Mid (pH 6-8) 3.19 6.95 -52.49 1 5 -1 72 318.356 2

Activity (Go SEA)

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