UCSF

ZINC28523241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 27 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) 3.28 10.28 -121.46 3 4 2 34 373.516 8
Mid Mid (pH 6-8) 3.28 7.81 -53.25 2 4 1 32 372.508 8

Activity (Go SEA)

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