UCSF

ZINC27322913

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 8.25 15.38 -46.22 0 2 -1 40 429.362 14
Lo Low (pH 4.5-6) 8.25 14.26 -7.86 1 2 0 37 430.37 14

Activity (Go SEA)

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