UCSF

ZINC36777204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 0.68 3.24 -40.99 3 3 1 44 220.34 5
Mid Mid (pH 6-8) 0.68 3.43 -89.87 4 3 2 45 221.348 5
Mid Mid (pH 6-8) 0.68 4.76 -26.56 3 3 1 43 220.34 5

Activity (Go SEA)

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