UCSF

ZINC36999067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.07 5.45 -111.36 5 4 2 61 269.433 4
Mid Mid (pH 6-8) 2.07 5.52 -39.19 4 4 1 60 268.425 4

Activity (Go SEA)

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