UCSF

ZINC09969579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 36 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) 4.83 13.47 -52.16 0 6 -1 83 482.487 8
Mid Mid (pH 6-8) 5.27 1.35 -27.72 1 6 0 79 483.495 7
Mid Mid (pH 6-8) 4.24 1.64 -21.33 0 6 0 76 483.495 8

Activity (Go SEA)

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