UCSF

ZINC36786191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.39 10.19 -37.86 1 4 0 58 270.332 4
Mid Mid (pH 6-8) 3.39 9.79 -49.43 0 4 -1 56 269.324 4

Activity (Go SEA)

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