UCSF

ZINC19902417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.47 5.37 -55.23 3 4 1 55 288.367 7
Mid Mid (pH 6-8) 2.47 3.96 -11.33 2 4 0 51 287.359 7

Activity (Go SEA)

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