UCSF

ZINC09454685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 4.68 11.37 -58.41 0 7 -1 92 501.515 4
Mid Mid (pH 6-8) 5.13 10.32 -25.61 1 7 0 89 502.523 3

Activity (Go SEA)

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