UCSF

ZINC37871089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) -0.25 2.22 -10.49 1 4 0 62 156.185 5
Lo Low (pH 4.5-6) -0.25 3.43 -47.83 2 4 1 67 157.193 5

Activity (Go SEA)

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