UCSF

ZINC20485639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 No

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) 2.33 6.13 -8.9 3 5 0 75 264.373 8
Mid Mid (pH 6-8) 2.33 6.43 -37.62 4 5 1 76 265.381 8

Activity (Go SEA)

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