UCSF

ZINC09435242

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 5.62 13.33 -62.08 0 6 -1 79 498.599 11
Mid Mid (pH 6-8) 6.07 12.25 -29.73 1 6 0 76 499.607 10
Mid Mid (pH 6-8) 5.04 13.23 -24.66 0 6 0 73 499.607 11

Activity (Go SEA)

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