UCSF

ZINC20932456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 5.19 10.96 -57.41 2 4 1 44 423.371 11
Mid Mid (pH 6-8) 5.19 9.54 -7.86 1 4 0 40 422.363 11

Activity (Go SEA)

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