UCSF

ZINC37794513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 2.42 6.81 -54.26 1 4 -1 69 238.307 4
Lo Low (pH 4.5-6) 2.42 4.89 -13.36 2 4 0 66 239.315 4

Activity (Go SEA)

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