UCSF

ZINC06420813

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 29 No

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) 2.52 6.76 -14.12 1 7 0 89 397.427 9
Mid Mid (pH 6-8) 1.94 7.47 -18.91 0 7 0 86 397.427 9

Activity (Go SEA)

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