UCSF

ZINC20469101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 3.66 10.18 -37.78 1 3 1 21 304.845 4
Mid Mid (pH 6-8) 3.66 7.8 -6.75 0 3 0 19 303.837 4
Lo Low (pH 4.5-6) 3.66 10.5 -93.89 2 3 2 22 305.853 4

Activity (Go SEA)

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