UCSF

ZINC37989012

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) 2.19 9.05 -49.14 2 5 1 57 340.245 7
Hi High (pH 8-9.5) 2.19 7.67 -10.88 1 5 0 52 339.237 7

Activity (Go SEA)

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