UCSF

ZINC05939861

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 25 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) 3.09 7.29 -53.55 3 4 1 59 335.427 8
Lo Low (pH 4.5-6) 3.09 7.57 -113.47 4 4 2 60 336.435 8

Activity (Go SEA)

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