UCSF

ZINC09067291

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 36 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) 5.81 13.29 -55.33 0 7 -1 100 524.018 7
Lo Low (pH 4.5-6) 5.81 12.48 -16.3 1 7 0 97 525.026 7

Activity (Go SEA)

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