UCSF

ZINC28957481

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 1.59 -0.47 -13.63 2 6 0 79 314.407 5
Lo Low (pH 4.5-6) 1.59 1.86 -46.82 3 6 1 80 315.415 5

Activity (Go SEA)

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