UCSF

ZINC06795667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 5.51 15.26 -43.76 2 4 0 62 416.496 7
Mid Mid (pH 6-8) 5.51 13.89 -60.31 1 4 -1 57 415.488 7

Activity (Go SEA)

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