UCSF

ZINC09350416

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 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) 4.28 11.73 -69.78 1 6 0 74 501.421 9
Mid Mid (pH 6-8) 4.73 11.8 -45.39 2 6 1 71 502.429 8

Activity (Go SEA)

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