UCSF

ZINC58230278

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 30 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) 3.07 9.78 -8.17 1 8 0 85 411.506 7
Mid Mid (pH 6-8) 3.07 11.72 -47.4 2 8 1 86 412.514 7

Activity (Go SEA)

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