UCSF

ZINC09461026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 5.21 11.62 -57.3 0 6 -1 86 443.504 5
Mid Mid (pH 6-8) 5.65 10.7 -33.3 1 6 0 84 444.512 4
Mid Mid (pH 6-8) 4.62 11.7 -19.72 0 6 0 80 444.512 5

Activity (Go SEA)

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