UCSF

ZINC09086270

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 4.19 10.78 -59.23 0 9 -1 125 467.498 11
Mid Mid (pH 6-8) 3.61 10.78 -26.87 0 9 0 119 468.506 11
Mid Mid (pH 6-8) 4.64 9.75 -33.61 1 9 0 122 468.506 10

Activity (Go SEA)

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