UCSF

ZINC38003353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 2.23 4.55 -103.12 5 2 2 44 279.247 6
Hi High (pH 8-9.5) 2.23 3.33 -42.5 4 2 1 40 278.239 6

Activity (Go SEA)

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