UCSF

ZINC42771827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.34 7.75 -63.32 1 5 0 61 282.384 8
Mid Mid (pH 6-8) 2.34 10.22 -112.06 2 5 1 62 283.392 8

Activity (Go SEA)

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