UCSF

ZINC33814093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 2.53 12.53 -77.22 1 9 0 101 492.576 10
Lo Low (pH 4.5-6) 2.53 11.22 -62.95 2 9 1 98 493.584 10

Activity (Go SEA)

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