UCSF

ZINC06689636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 2.48 10.64 -14.03 0 7 0 74 391.427 8
Mid Mid (pH 6-8) 2.48 11.75 -32.57 1 7 1 75 392.435 8

Activity (Go SEA)

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