UCSF

ZINC09471295

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 3.99 12.29 -58.62 0 7 -1 88 482.512 8
Mid Mid (pH 6-8) 4.43 10.44 -29.79 1 7 0 85 483.52 7
Mid Mid (pH 6-8) 3.40 11.41 -24.03 0 7 0 82 483.52 8

Activity (Go SEA)

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