UCSF

ZINC36993356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.81 6.13 -34.94 3 3 1 50 260.357 5
Mid Mid (pH 6-8) 3.81 5.54 -5.4 2 3 0 45 259.349 5

Activity (Go SEA)

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