UCSF

ZINC09184497

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 29 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) 0.90 7.01 -17.51 2 9 0 107 395.419 7
Mid Mid (pH 6-8) 1.08 5.02 -57.99 1 9 -1 114 394.411 7

Activity (Go SEA)

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