UCSF

ZINC12528204

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 18 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) 2.60 6.41 -7.17 1 3 0 42 260.724 3
Lo Low (pH 4.5-6) 2.60 6.74 -40.42 2 3 1 43 261.732 3

Activity (Go SEA)

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