UCSF

ZINC09302002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 33 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) 4.27 11.19 -53.28 0 9 -1 132 460.447 5
Mid Mid (pH 6-8) 4.72 11.29 -21.46 1 9 0 129 461.455 4

Activity (Go SEA)

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