UCSF

ZINC09350956

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 27 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) 3.05 7.81 -29.6 1 9 0 119 386.389 6
Mid Mid (pH 6-8) 3.11 6.9 -48.73 0 9 -1 125 385.381 6

Activity (Go SEA)

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