UCSF

ZINC36924533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.79 7.78 -33.86 2 3 1 37 301.813 6
Mid Mid (pH 6-8) 2.79 6.78 -8.56 1 3 0 32 300.805 6

Activity (Go SEA)

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