UCSF

ZINC37813817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.91 2.65 -44.36 3 6 1 83 233.288 8
Hi High (pH 8-9.5) -0.91 2.08 -14.29 2 6 0 82 232.28 8

Activity (Go SEA)

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