UCSF

ZINC21812448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.11 2.88 -38.07 3 6 -1 99 366.637 4
Mid Mid (pH 6-8) 3.11 3.37 -34.42 4 6 0 100 367.645 4

Activity (Go SEA)

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