UCSF

ZINC09186503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 6.24 12.36 -55.38 0 5 -1 73 500.408 4
Mid Mid (pH 6-8) 5.66 -1.67 -11.59 0 5 0 67 501.416 4
Mid Mid (pH 6-8) 6.24 12.17 -12.84 1 5 0 71 501.416 4

Activity (Go SEA)

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