UCSF

ZINC03879996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 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) 3.48 10 -56.73 1 6 1 67 367.223 4
Mid Mid (pH 6-8) 3.48 7.78 -9.81 0 6 0 65 366.215 4

Activity (Go SEA)

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