UCSF

ZINC12601437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 24 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) 2.35 9.05 -23.87 1 6 0 69 340.408 3
Mid Mid (pH 6-8) 2.35 9.36 -44.34 2 6 1 70 341.416 3

Activity (Go SEA)

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