UCSF

ZINC43423784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.65 3.19 -44.65 3 4 1 53 265.377 4
Lo Low (pH 4.5-6) 1.65 4.93 -111.82 4 4 2 54 266.385 4

Activity (Go SEA)

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