UCSF

ZINC06749286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 4.75 10.5 -11.28 1 5 0 56 389.499 5
Mid Mid (pH 6-8) 4.75 10.99 -28.61 2 5 1 57 390.507 5

Activity (Go SEA)

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