UCSF

ZINC09334267

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 30 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) 3.18 9.66 -49.88 0 9 -1 132 421.414 5
Lo Low (pH 4.5-6) 3.18 8.83 -17.38 1 9 0 129 422.422 5

Activity (Go SEA)

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