UCSF

ZINC06015317

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 32 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) 5.36 11.15 -26 2 5 0 67 495.417 4
Mid Mid (pH 6-8) 5.50 9.52 -13.49 1 5 0 68 495.417 4
Mid Mid (pH 6-8) 5.50 10.38 -14.68 1 5 0 68 495.417 4

Activity (Go SEA)

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