UCSF

ZINC11937426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 23 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) 0.69 -0.83 -41.93 2 6 1 64 314.413 4
Lo Low (pH 4.5-6) 0.69 -0.78 -112.87 3 6 2 65 315.421 4

Activity (Go SEA)

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