UCSF

ZINC08651833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 36 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) 3.78 5.22 -18.82 1 7 0 82 501.523 9
Mid Mid (pH 6-8) 3.78 5.44 -39.7 2 7 1 83 502.531 9

Activity (Go SEA)

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