UCSF

ZINC34026911

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 36 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) 0.85 9.71 -59.44 3 11 -1 171 523.946 15
Lo Low (pH 4.5-6) 0.85 8.58 -38.82 4 11 0 168 524.954 15

Activity (Go SEA)

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