UCSF

ZINC20138327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 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) 2.25 13.49 -54.94 1 6 -1 90 457.481 5
Mid Mid (pH 6-8) 2.25 14.49 -49.76 2 6 0 94 458.489 5

Activity (Go SEA)

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