UCSF

ZINC40071030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 21 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) 2.79 8.12 -9.41 1 4 0 45 321.833 4
Lo Low (pH 4.5-6) 2.79 8.59 -35.78 2 4 1 46 322.841 4

Activity (Go SEA)

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