UCSF

ZINC42679879

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

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) 1.31 3.86 -35.68 3 4 1 47 255.411 4
Mid Mid (pH 6-8) 1.31 4 -74.1 4 4 2 48 256.419 4

Activity (Go SEA)

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