UCSF

ZINC35412922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 21 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) 1.55 4.53 -49.38 0 6 -1 90 325.391 5
Lo Low (pH 4.5-6) 1.55 4.99 -66.62 1 6 0 92 326.399 5

Activity (Go SEA)

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