UCSF

ZINC08777756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 16 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) 0.67 5.2 -105.2 4 3 2 45 221.348 4
Lo Low (pH 4.5-6) 0.67 5.49 -187.36 5 3 3 46 222.356 4

Activity (Go SEA)

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