UCSF

ZINC36047609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 23 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) 1.91 6.78 -49.18 1 6 -1 99 348.381 1
Mid Mid (pH 6-8) 2.36 4.75 -104.68 0 6 -2 102 347.373 1

Activity (Go SEA)

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