UCSF

ZINC33691963

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 3.62 8.43 -11.53 1 7 0 80 431.901 4
Lo Low (pH 4.5-6) -0.05 8.64 -36.59 2 7 1 80 432.909 5

Activity (Go SEA)

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