UCSF

ZINC13213094

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 1.85 3.16 -7.69 1 4 0 54 173.175 2
Lo Low (pH 4.5-6) 1.85 3.6 -37.54 2 4 1 56 174.183 2

Activity (Go SEA)

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