UCSF

ZINC12541045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 28 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) 4.21 11.39 -54.24 2 5 1 52 374.464 8
Mid Mid (pH 6-8) 4.21 11.83 -85.33 3 5 2 54 375.472 8

Activity (Go SEA)

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