UCSF

ZINC50348891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 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) 2.80 7.02 -52.53 0 4 -1 56 261.345 2
Mid Mid (pH 6-8) 2.80 6.01 -9.78 1 4 0 53 262.353 2
Mid Mid (pH 6-8) 2.80 5.04 -28.34 1 4 0 58 262.353 2

Activity (Go SEA)

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