UCSF

ZINC06420038

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 No

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) 3.66 10.69 -45.67 0 6 -1 83 416.453 7
Mid Mid (pH 6-8) 3.66 0.88 -15.58 1 6 0 79 417.461 7
Mid Mid (pH 6-8) 3.08 0.75 -25.99 0 6 0 76 417.461 7

Activity (Go SEA)

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