UCSF

ZINC06620408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 3.71 10.11 -60.27 0 6 -1 83 414.437 8
Mid Mid (pH 6-8) 3.13 1.59 -20.49 0 6 0 76 415.445 8
Lo Low (pH 4.5-6) 3.71 9.35 -14.02 1 6 0 80 415.445 8

Activity (Go SEA)

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