UCSF

ZINC15000302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 29 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) 1.89 4.82 -37.36 3 8 1 102 419.889 10
Lo Low (pH 4.5-6) 1.89 5.09 -101.07 4 8 2 103 420.897 10

Activity (Go SEA)

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