UCSF

ZINC09355100

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 33 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) 4.44 1.48 -13.3 0 8 0 92 465.531 7
Lo Low (pH 4.5-6) 4.44 1.58 -53.83 1 8 1 93 466.539 7

Activity (Go SEA)

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