UCSF

ZINC17317787

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 26 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) 3.71 8.4 -8.15 1 4 0 43 348.446 8
Lo Low (pH 4.5-6) 3.71 9.84 -107.54 3 4 2 49 350.462 8
Lo Low (pH 4.5-6) 3.71 8.84 -39.02 2 4 1 45 349.454 8

Activity (Go SEA)

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