UCSF

ZINC20609496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 19 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) 1.44 6.66 -89.61 2 5 0 74 264.325 7
Hi High (pH 8-9.5) 1.44 4.38 -73.87 1 5 -1 72 263.317 7

Activity (Go SEA)

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