UCSF

ZINC09370691

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.77 12.89 -53.05 0 8 -1 109 505.572 8
Mid Mid (pH 6-8) 4.19 1.31 -21.19 0 8 0 102 506.58 8

Activity (Go SEA)

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