UCSF

ZINC00115220

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 2.82 -2.52 -9.94 2 4 0 59 289.404 1
Lo Low (pH 4.5-6) 2.82 -2.48 -33.63 3 4 1 60 290.412 1

Activity (Go SEA)

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