UCSF

ZINC23336570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 34 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) 4.06 17.81 -49.62 1 8 1 77 465.622 9
Mid Mid (pH 6-8) 4.06 15.48 -13.52 0 8 0 76 464.614 9

Activity (Go SEA)

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