UCSF

ZINC36168114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.88 4.41 -10.2 1 5 0 48 259.309 3
Mid Mid (pH 6-8) 1.88 4.54 -29.74 2 5 1 50 260.317 3

Activity (Go SEA)

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