UCSF

ZINC23361747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 3.29 9.49 -26.6 1 8 0 104 375.454 7
Mid Mid (pH 6-8) 3.35 8.59 -46.64 0 8 -1 110 374.446 7

Activity (Go SEA)

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