UCSF

ZINC19536190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 22 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) 2.32 5.32 -34.49 1 5 1 39 298.366 3
Mid Mid (pH 6-8) 2.32 7.35 -45.63 1 5 1 39 298.366 3
Mid Mid (pH 6-8) 2.32 5.04 -9.16 0 5 0 38 297.358 3

Activity (Go SEA)

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