UCSF

ZINC01556419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 25 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) 3.12 8.4 -52.09 1 5 1 41 340.399 2
Mid Mid (pH 6-8) 3.12 6.05 -10.74 0 5 0 40 339.391 2

Activity (Go SEA)

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