UCSF

ZINC53116874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 2.17 5.2 -59.76 2 5 -1 89 296.387 4
Lo Low (pH 4.5-6) 2.17 3.76 -9.28 3 5 0 87 297.395 4

Activity (Go SEA)

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