UCSF

ZINC28352716

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 35 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) 4.81 14.97 -14.85 0 5 0 52 486.999 10
Lo Low (pH 4.5-6) 4.81 15.35 -56.34 1 5 1 53 488.007 10

Activity (Go SEA)

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