UCSF

ZINC42945763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.64 8.6 -121.26 4 2 2 32 282.859 4
Hi High (pH 8-9.5) 3.64 8.26 -33.74 3 2 1 30 281.851 4
Hi High (pH 8-9.5) 3.64 7.07 -43.84 3 2 1 31 281.851 4

Activity (Go SEA)

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