UCSF

ZINC20475210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 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) 2.51 4.29 -45.35 3 2 1 31 304.277 3
Lo Low (pH 4.5-6) 2.51 6.51 -119.26 4 2 2 32 305.285 3

Activity (Go SEA)

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