UCSF

ZINC59863571

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 16 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) 1.53 2.87 -8.14 2 5 0 64 222.292 2
Lo Low (pH 4.5-6) 1.53 3.03 -31.25 3 5 1 66 223.3 2

Activity (Go SEA)

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