UCSF

ZINC23361811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.62 9.66 -40 3 5 1 55 410.582 8
Lo Low (pH 4.5-6) 3.62 10.87 -132.39 4 5 2 59 411.59 8

Activity (Go SEA)

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