UCSF

ZINC49455668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 22 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) 2.29 10.4 -48.1 0 5 -1 69 300.313 3
Lo Low (pH 4.5-6) 2.29 10.76 -62.46 1 5 0 70 301.321 3

Activity (Go SEA)

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