UCSF

ZINC21531648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 4.94 13.29 -37.26 1 7 1 45 504.659 6
Mid Mid (pH 6-8) 4.94 10.96 -8.38 0 7 0 44 503.651 6

Activity (Go SEA)

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