UCSF

ZINC00845963

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 3.27 11.47 -9.79 1 10 0 94 402.455 6
Mid Mid (pH 6-8) 3.27 11.75 -27.79 2 10 1 95 403.463 6

Activity (Go SEA)

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