UCSF

ZINC12536810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 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) 2.09 4.01 -9.45 1 4 0 51 256.305 4
Lo Low (pH 4.5-6) 2.09 4.73 -39.67 2 4 1 52 257.313 4

Activity (Go SEA)

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