UCSF

ZINC43425265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) 0.90 0.83 -5.02 0 3 0 25 183.251 2
Mid Mid (pH 6-8) 0.90 3.06 -35.23 1 3 1 26 184.259 2

Activity (Go SEA)

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