UCSF

ZINC06622115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 1.75 -2.51 -15.11 2 7 0 100 383.4 5
Mid Mid (pH 6-8) 1.17 -2.69 -21.95 1 7 0 97 383.4 5

Activity (Go SEA)

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