UCSF

ZINC22056815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 37 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) 5.66 15.1 -55.98 2 5 1 52 494.611 7
Mid Mid (pH 6-8) 5.66 12.83 -15.06 1 5 0 51 493.603 7

Activity (Go SEA)

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