UCSF

ZINC19536639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 15 Yes

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) 2.39 6.3 -34.47 1 2 1 8 270.194 2
Mid Mid (pH 6-8) 2.39 6.29 -29.59 1 2 1 8 270.194 2
Mid Mid (pH 6-8) 2.39 3.83 -2.66 0 2 0 6 269.186 2

Activity (Go SEA)

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