UCSF

ZINC43200980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 22 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) 1.57 10.99 -33.96 2 5 1 57 335.478 4
Mid Mid (pH 6-8) 1.57 10.48 -13.72 1 5 0 56 334.47 4

Activity (Go SEA)

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