UCSF

ZINC28637930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 32 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) 7.93 14.84 -51.45 0 2 -1 40 439.704 4
Lo Low (pH 4.5-6) 7.93 13.72 -5.79 1 2 0 37 440.712 4

Activity (Go SEA)

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