UCSF

ZINC09274941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 Yes

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) 5.65 14.36 -43.27 2 5 0 71 448.95 8
Mid Mid (pH 6-8) 5.65 13 -53.13 1 5 -1 66 447.942 8

Activity (Go SEA)

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