UCSF

ZINC29577380

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 21 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) 1.88 4.82 -45.07 4 5 1 75 292.403 6
Hi High (pH 8-9.5) 1.88 3.84 -16.33 3 5 0 70 291.395 6

Activity (Go SEA)

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