UCSF

ZINC29347990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 35 No

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) 3.53 4.29 -59.66 3 9 -1 149 499.621 17
Lo Low (pH 4.5-6) 3.53 3.17 -20.94 4 9 0 146 500.629 17

Activity (Go SEA)

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