UCSF

ZINC27032050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 29 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 6.47 -15.2 1 7 0 75 394.475 4
Lo Low (pH 4.5-6) 1.53 6.73 -45.86 2 7 1 76 395.483 4

Activity (Go SEA)

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