UCSF

ZINC19818549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 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) 1.87 6.88 -37.76 3 6 1 66 415.945 8
Mid Mid (pH 6-8) 1.87 6.86 -44.36 3 6 1 66 415.945 8
Mid Mid (pH 6-8) 1.87 4.53 -8.12 2 6 0 65 414.937 8

Activity (Go SEA)

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