UCSF

ZINC00904241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 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) 5.17 -1.05 -7.94 1 4 0 38 386.293 4
Mid Mid (pH 6-8) 1.43 -0.87 -28.06 2 4 1 41 387.301 4

Activity (Go SEA)

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