UCSF

ZINC37846110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.88 6.78 -41.11 1 4 1 28 375.356 5
Lo Low (pH 4.5-6) 1.88 9.26 -100.91 2 4 2 29 376.364 5
Lo Low (pH 4.5-6) 1.88 6.87 -40.78 1 4 1 28 375.356 5

Activity (Go SEA)

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