UCSF

ZINC29458497

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 23 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) 3.86 6.42 -15.29 1 4 0 55 326.421 5
Mid Mid (pH 6-8) 3.93 5.4 -12.44 1 4 0 59 326.421 5

Activity (Go SEA)

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