UCSF

ZINC41655810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.61 8.29 -39.38 0 4 -1 66 318.139 2
Lo Low (pH 4.5-6) 3.61 8.74 -57.55 1 4 0 67 319.147 2

Activity (Go SEA)

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