UCSF

ZINC28957453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 16 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) 2.17 2.37 -6.96 1 3 0 33 221.3 3
Lo Low (pH 4.5-6) 2.17 4.69 -40.72 2 3 1 34 222.308 3

Activity (Go SEA)

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