UCSF

ZINC37834553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.12 5.07 -52.16 0 6 -1 87 214.197 5
Lo Low (pH 4.5-6) -0.12 3.15 -17.26 1 6 0 84 215.205 5

Activity (Go SEA)

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