UCSF

ZINC43423079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.24 7.15 -43.1 4 5 1 81 264.397 8
Mid Mid (pH 6-8) 2.24 7.56 -87.91 5 5 2 82 265.405 8

Activity (Go SEA)

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