UCSF

ZINC34992464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.59 10.27 -44.54 2 1 1 17 353.28 3
Hi High (pH 8-9.5) 3.59 9.05 -4.34 1 1 0 12 352.272 3

Activity (Go SEA)

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