UCSF

ZINC07343682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 31 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) 2.63 6.7 -139.36 2 6 -2 112 408.413 3
Mid Mid (pH 6-8) 4.33 -4.05 -22.67 4 6 0 106 410.429 3

Activity (Go SEA)

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