UCSF

ZINC14899252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 24 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) 1.79 8.36 -14.89 1 6 0 73 321.384 3
Lo Low (pH 4.5-6) 1.79 8.15 -36.89 2 6 1 74 322.392 3

Activity (Go SEA)

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