UCSF

ZINC09242744

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 4.09 1.73 -10.89 0 6 0 72 446.89 4
Lo Low (pH 4.5-6) 4.09 1.84 -43.64 1 6 1 73 447.898 4

Activity (Go SEA)

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