UCSF

ZINC09380110

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 5.26 13.26 -59.51 0 4 -1 60 459.319 5
Mid Mid (pH 6-8) 5.26 12.66 -21.71 1 4 0 58 460.327 4
Mid Mid (pH 6-8) 4.67 0.59 -21.69 0 4 0 54 460.327 5

Activity (Go SEA)

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