UCSF

ZINC42802582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.79 7.55 -46.89 1 3 -1 52 266.729 4
Lo Low (pH 4.5-6) 3.79 5.55 -6.41 2 3 0 49 267.737 4

Activity (Go SEA)

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