UCSF

ZINC02040880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 17 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) 2.90 9.7 0.1 2 2 0 9 236.403 0
Hi High (pH 8-9.5) 2.90 9.31 -25.16 1 2 1 8 235.395 0

Activity (Go SEA)

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