UCSF

ZINC20206464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 0.26 0.29 -10.54 1 4 0 42 220.7 4
Mid Mid (pH 6-8) 0.26 2.64 -46.23 2 4 1 43 221.708 4

Activity (Go SEA)

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