UCSF

ZINC20470386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.42 -0.23 -53.61 5 6 1 98 261.305 4
Lo Low (pH 4.5-6) 0.42 -0.12 -115.25 6 6 2 99 262.313 4

Activity (Go SEA)

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