UCSF

ZINC35252141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 2.53 6.94 -12.57 1 6 0 76 272.308 3
Lo Low (pH 4.5-6) 2.53 7.37 -43.32 2 6 1 77 273.316 3

Activity (Go SEA)

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