UCSF

ZINC37856802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 12 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) 1.07 1.96 -6.33 1 3 0 45 168.24 3
Lo Low (pH 4.5-6) 1.07 3.19 -41.24 2 3 1 50 169.248 3

Activity (Go SEA)

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