UCSF

ZINC20028158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 2.29 7.23 -7.76 1 2 0 29 201.269 3
Lo Low (pH 4.5-6) 2.47 5.74 -29.35 2 2 1 34 202.277 3

Activity (Go SEA)

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