UCSF

ZINC36964871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.08 8.49 -38.06 1 5 1 53 298.794 5
Mid Mid (pH 6-8) 3.08 8.49 -40.03 1 5 1 53 298.794 5
Mid Mid (pH 6-8) 3.08 6.23 -4.38 0 5 0 52 297.786 5

Activity (Go SEA)

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