UCSF

ZINC09270764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 2.45 7.52 -75.09 2 8 0 104 454.523 9
Mid Mid (pH 6-8) 2.90 7.75 -50.43 3 8 1 101 455.531 8

Activity (Go SEA)

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