UCSF

ZINC34476236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 11 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) 2.82 5.42 -7.86 0 1 0 13 183.663 1
Lo Low (pH 4.5-6) 2.82 5.88 -31.86 1 1 1 14 184.671 1

Activity (Go SEA)

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