UCSF

ZINC39355697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 32 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) 3.41 10.07 -111.42 2 6 2 65 453.97 3
Hi High (pH 8-9.5) 3.41 7.93 -37.28 1 6 1 64 452.962 3

Activity (Go SEA)

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