UCSF

ZINC34334750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 2.43 6.32 -46.81 0 2 -1 40 153.201 2
Lo Low (pH 4.5-6) 2.43 4.5 -4.98 1 2 0 37 154.209 2

Activity (Go SEA)

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