UCSF

ZINC41679774

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.85 5.29 -7.64 1 4 0 42 288.391 1
Lo Low (pH 4.5-6) 1.85 6.62 -41.74 2 4 1 46 289.399 1

Activity (Go SEA)

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