UCSF

ZINC15085501

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 30 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) 3.69 7.64 -14.46 3 7 0 107 418.478 6
Lo Low (pH 4.5-6) 3.69 7.87 -45.2 4 7 1 108 419.486 6
Lo Low (pH 4.5-6) 3.76 6.32 -49.54 4 7 1 112 419.486 6

Activity (Go SEA)

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