UCSF

ZINC44609621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) 1.23 3.37 -4.37 0 2 0 16 204.726 4
Mid Mid (pH 6-8) 1.23 5.76 -36.24 1 2 1 17 205.734 4

Activity (Go SEA)

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