UCSF

ZINC06639340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 4.43 3.13 -48.57 1 6 -1 91 350.379 1
Mid Mid (pH 6-8) 3.97 4.94 -10.77 2 6 0 87 351.387 1
Mid Mid (pH 6-8) 3.97 5.37 -10.89 2 6 0 87 351.387 1

Activity (Go SEA)

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