UCSF

ZINC09436672

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 4.97 12.2 -60.63 0 7 -1 88 512.582 9
Mid Mid (pH 6-8) 5.42 11.7 -18.04 1 7 0 85 513.59 8

Activity (Go SEA)

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