UCSF

ZINC11818227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 27 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) 0.55 -3.03 -50.11 2 7 1 79 370.477 4
Lo Low (pH 4.5-6) 0.55 -2.92 -113.05 3 7 2 80 371.485 4

Activity (Go SEA)

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