UCSF

ZINC37269631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.60 2.08 -47.79 5 6 1 89 283.327 6
Hi High (pH 8-9.5) 0.60 -0.17 -13.28 4 6 0 87 282.319 6

Activity (Go SEA)

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