UCSF

ZINC37807092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) 0.50 2.59 -44.76 3 3 1 48 173.28 3
Hi High (pH 8-9.5) 0.50 2.19 -8.14 2 3 0 46 172.272 3

Activity (Go SEA)

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