UCSF

ZINC37989016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.10 7.28 -62.96 2 6 1 66 342.217 6
Hi High (pH 8-9.5) 1.10 5.93 -17.12 1 6 0 61 341.209 6

Activity (Go SEA)

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