UCSF

ZINC36125688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 2.83 8.57 -14.21 1 5 0 56 379.847 2
Ref Reference (pH 7) 2.83 8.89 -15.05 1 5 0 56 379.847 2
Mid Mid (pH 6-8) 2.83 11.08 -56.32 2 5 1 58 380.855 2
Mid Mid (pH 6-8) 2.83 11.07 -54.32 2 5 1 58 380.855 2

Activity (Go SEA)

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