UCSF

ZINC35698551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 No

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) 2.85 7.36 -17.53 1 4 0 47 326.349 3
Mid Mid (pH 6-8) 3.31 6.07 -46.96 0 4 -1 50 325.341 3

Activity (Go SEA)

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