UCSF

ZINC28971477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 17 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) 2.08 5.58 -24.42 5 5 1 88 233.295 3
Hi High (pH 8-9.5) 2.08 5.1 -7.89 4 5 0 87 232.287 3

Activity (Go SEA)

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