UCSF

ZINC19537460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 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) 2.93 7.63 -39.48 1 5 1 35 341.431 5
Mid Mid (pH 6-8) 2.93 7.57 -42 1 5 1 35 341.431 5
Mid Mid (pH 6-8) 2.93 5.24 -7.64 0 5 0 34 340.423 5

Activity (Go SEA)

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