UCSF

ZINC09435227

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) 4.59 12.66 -61.71 0 7 -1 96 482.512 8
Mid Mid (pH 6-8) 5.04 11.62 -30.04 1 7 0 93 483.52 7
Mid Mid (pH 6-8) 4.01 12.59 -25.39 0 7 0 90 483.52 8

Activity (Go SEA)

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