UCSF

ZINC62959671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 2.55 6.91 -52.79 0 4 -1 56 261.345 3
Mid Mid (pH 6-8) 2.55 5.9 -9.59 1 4 0 53 262.353 3
Mid Mid (pH 6-8) 2.55 4.9 -28.36 1 4 0 58 262.353 3

Activity (Go SEA)

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