UCSF

ZINC17027421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 29 No

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) 2.17 4.37 -49.04 0 8 -1 103 395.391 5
Lo Low (pH 4.5-6) 1.72 6.83 -14.67 1 8 0 100 396.399 5

Activity (Go SEA)

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