UCSF

ZINC62708576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2011 20 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) 3.02 9.27 -115.74 3 2 2 21 288.357 5
Mid Mid (pH 6-8) 3.02 8.03 -37.02 2 2 1 16 287.349 5

Activity (Go SEA)

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