UCSF

ZINC20930321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 32 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) 3.51 5.65 -58.13 2 9 1 86 440.524 9
Mid Mid (pH 6-8) 3.51 3.27 -14.93 1 9 0 85 439.516 9

Activity (Go SEA)

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