UCSF

ZINC45630782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.65 6.76 -32.8 2 2 1 16 223.384 3
Mid Mid (pH 6-8) 2.65 6.05 -36.75 2 2 1 20 223.384 3
Lo Low (pH 4.5-6) 2.65 8.02 -102.39 3 2 2 21 224.392 3

Activity (Go SEA)

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