UCSF

ZINC19976385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 0.82 3.01 -48.8 3 5 1 60 258.386 5
Mid Mid (pH 6-8) 0.82 4.95 -112.79 4 5 2 62 259.394 5

Activity (Go SEA)

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