UCSF

ZINC33323820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 20 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) 3.70 6 -9.84 1 4 0 59 353.241 4
Mid Mid (pH 6-8) 3.70 6.21 -42.81 0 4 -1 61 352.233 4

Activity (Go SEA)

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