UCSF

ZINC27522361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 36 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) 5.24 12.49 -9.94 1 7 0 80 524.042 8
Mid Mid (pH 6-8) 5.42 9.13 -10.3 1 7 0 84 524.042 8
Mid Mid (pH 6-8) 5.24 11.55 -10.67 1 7 0 80 524.042 8

Activity (Go SEA)

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