UCSF

ZINC06752863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.90 8.22 -13.64 2 6 0 78 409.461 7
Mid Mid (pH 6-8) 3.90 8.99 -52.76 1 6 -1 81 408.453 7

Activity (Go SEA)

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