UCSF

ZINC34959420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) -1.31 3.63 -42.29 2 5 0 83 184.195 4
Hi High (pH 8-9.5) -1.31 2.28 -44.86 1 5 -1 78 183.187 4

Activity (Go SEA)

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