UCSF

ZINC19330112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 33 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) 5.50 10.5 -280.82 8 5 4 66 467.831 5
Mid Mid (pH 6-8) 5.50 8.15 -98.13 6 5 2 57 465.815 5
Mid Mid (pH 6-8) 5.50 8.51 -144.66 7 5 3 65 466.823 5
Lo Low (pH 4.5-6) 5.50 8.35 -180.28 7 5 3 65 466.823 5

Activity (Go SEA)

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