UCSF

ZINC34989703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.99 9.01 -35.39 1 2 1 22 220.336 4
Hi High (pH 8-9.5) 2.99 6.62 -5.62 0 2 0 20 219.328 4

Activity (Go SEA)

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