UCSF

ZINC11816617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 2.99 2.29 -10.22 1 5 0 64 359.355 6
Lo Low (pH 4.5-6) 2.99 2.76 -35.08 2 5 1 65 360.363 6

Activity (Go SEA)

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