UCSF

ZINC00227174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 15 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) 3.08 7.83 -33.99 1 2 1 14 226.727 4
Hi High (pH 8-9.5) 3.08 5.32 -3.4 0 2 0 12 225.719 4

Activity (Go SEA)

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