UCSF

ZINC42171335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

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) 2.36 6.13 -45.45 3 5 1 64 287.387 5
Mid Mid (pH 6-8) 2.36 6.57 -78.48 4 5 2 65 288.395 5

Activity (Go SEA)

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