UCSF

ZINC06813222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 25 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) 2.07 6.51 -64.16 0 6 -1 83 340.355 6
Mid Mid (pH 6-8) 2.51 0.96 -21.89 1 6 0 79 341.363 5
Mid Mid (pH 6-8) 1.48 0.85 -13.57 0 6 0 76 341.363 6

Activity (Go SEA)

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