UCSF

ZINC19811530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 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) -0.13 4.09 -63.11 3 5 1 74 260.317 6
Lo Low (pH 4.5-6) -0.13 4.53 -98.11 4 5 2 75 261.325 6

Activity (Go SEA)

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