UCSF

ZINC38416902

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 15 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) 1.52 8.37 -36.56 1 4 1 33 207.301 3
Mid Mid (pH 6-8) 1.52 6.17 -5.73 0 4 0 32 206.293 3

Activity (Go SEA)

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