UCSF

ZINC36226537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 No

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) 1.34 4.27 -12.17 2 3 0 43 177.232 1
Mid Mid (pH 6-8) 1.34 4.64 -36.8 3 3 1 45 178.24 1

Activity (Go SEA)

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