UCSF

ZINC39763752

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 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) 2.66 8.22 -49.62 1 6 -1 95 328.373 4
Lo Low (pH 4.5-6) 2.66 6.43 -16.53 2 6 0 92 329.381 4

Activity (Go SEA)

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