UCSF

ZINC44123681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 22 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) 3.21 7.84 -8.21 1 4 0 49 335.19 2
Ref Reference (pH 7) 3.21 7.88 -8.17 1 4 0 49 335.19 2
Hi High (pH 8-9.5) 4.21 6.82 -47.14 1 4 -1 57 334.182 2

Activity (Go SEA)

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