UCSF

ZINC37835761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.69 2.68 -54.3 1 7 -1 99 259.282 9
Lo Low (pH 4.5-6) -0.69 0.7 -14.99 2 7 0 96 260.29 9

Activity (Go SEA)

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