UCSF

ZINC09272756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 27 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) 3.42 9.32 -40.39 0 5 -1 70 429.29 7
Mid Mid (pH 6-8) 2.83 -0.9 -17.74 0 5 0 63 430.298 7
Mid Mid (pH 6-8) 3.86 7.98 -26.3 1 5 0 67 430.298 6

Activity (Go SEA)

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