UCSF

ZINC53148491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 3.42 5.83 -4.61 3 2 0 38 250.704 3
Mid Mid (pH 6-8) 3.42 5.7 -45.99 4 2 1 40 251.712 3

Activity (Go SEA)

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