UCSF

ZINC09242209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 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) 4.43 1.15 -31.94 0 6 0 76 447.903 4
Lo Low (pH 4.5-6) 4.43 1.26 -75.4 1 6 1 77 448.911 4

Activity (Go SEA)

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