UCSF

ZINC06420840

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 29 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 11.67 -58.56 0 5 -1 74 386.427 6
Mid Mid (pH 6-8) 3.66 10.72 -13.02 1 5 0 71 387.435 6
Mid Mid (pH 6-8) 3.08 11.12 -12.1 0 5 0 68 387.435 6

Activity (Go SEA)

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