UCSF

ZINC12418611

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 26 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) 6.59 2.1 -9.16 0 3 0 27 350.506 7
Mid Mid (pH 6-8) 6.59 2.27 -26.72 1 3 1 28 351.514 7

Activity (Go SEA)

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