UCSF

ZINC19872058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.92 7.71 -130.23 3 5 2 49 310.438 8
Mid Mid (pH 6-8) 1.92 6.34 -39.05 2 5 1 44 309.43 8

Activity (Go SEA)

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