UCSF

ZINC19999176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.18 4.01 -62.27 3 8 0 108 349.387 7
Mid Mid (pH 6-8) 0.67 -0.22 -14.52 3 8 0 108 349.387 7

Activity (Go SEA)

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