UCSF

ZINC39400412

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 29 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) 1.59 5.14 -41.31 3 6 1 66 401.575 6
Mid Mid (pH 6-8) 1.59 5.91 -83.05 4 6 2 67 402.583 6

Activity (Go SEA)

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