UCSF

ZINC12881311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 27 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) 1.48 5.39 -24.02 2 7 0 91 388.493 6
Lo Low (pH 4.5-6) 1.48 6.31 -39.59 3 7 1 92 389.501 6

Activity (Go SEA)

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