UCSF

ZINC37997927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.38 4.68 -42.82 2 3 1 35 244.261 4
Hi High (pH 8-9.5) 1.38 3.29 -5.43 1 3 0 30 243.253 4

Activity (Go SEA)

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