UCSF

ZINC19881976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.71 7.41 -44.06 1 6 1 54 346.451 6
Ref Reference (pH 7) 1.71 7.45 -44.06 1 6 1 54 346.451 6
Mid Mid (pH 6-8) 1.71 5.09 -12.64 0 6 0 53 345.443 6
Mid Mid (pH 6-8) 1.71 5.04 -12.65 0 6 0 53 345.443 6

Activity (Go SEA)

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