UCSF

ZINC37834706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.13 3.76 -72.49 2 6 -1 104 241.267 6
Lo Low (pH 4.5-6) -0.13 1.84 -17.65 3 6 0 101 242.275 6

Activity (Go SEA)

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