UCSF

ZINC04265722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 21 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) 3.52 6.66 -12.03 1 5 0 56 279.299 2
Mid Mid (pH 6-8) 3.52 7 -28.93 2 5 1 58 280.307 2

Activity (Go SEA)

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