UCSF

ZINC34990794

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) 1.27 4.47 -38.36 2 4 1 59 221.28 7
Hi High (pH 8-9.5) 1.27 3.09 -8.64 1 4 0 54 220.272 7

Activity (Go SEA)

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