UCSF

ZINC26083220

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 22 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) 3.12 3.28 -7.23 1 5 0 51 303.406 4
Mid Mid (pH 6-8) 3.12 5.15 -37.63 2 5 1 52 304.414 4

Activity (Go SEA)

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