UCSF

ZINC40174741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 2.46 9.54 -59.42 0 3 -1 57 231.271 4
Lo Low (pH 4.5-6) 2.46 7.05 -13.33 1 3 0 54 232.279 4

Activity (Go SEA)

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