UCSF

ZINC59587641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 27 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) 3.71 10.9 -42.24 2 4 1 35 369.529 9
Lo Low (pH 4.5-6) 3.71 9.86 -47.73 2 4 1 38 369.529 9

Activity (Go SEA)

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