UCSF

ZINC09477333

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 4.61 10.96 -42.43 0 6 -1 79 476.574 10
Mid Mid (pH 6-8) 5.05 9.69 -30.25 1 6 0 76 477.582 9
Mid Mid (pH 6-8) 4.02 10.67 -25.63 0 6 0 73 477.582 10

Activity (Go SEA)

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